data_2lh0_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 2lh0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.83 0.347 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.9 m -58.77 -40.32 83.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.0 -45.0 19.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.7 p -58.39 -25.54 62.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.099 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -50.05 16.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.018 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -29.06 68.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.078 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.5 mt -80.02 -48.91 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.065 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.15 -26.57 58.84 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.93 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 20' ' ' VAL . 9.9 t -78.59 -39.35 37.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.837 0.351 . . . . 0.0 111.177 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.411 ' N ' HG23 ' A' ' 19' ' ' THR . 11.5 p -80.13 -36.75 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.4 -35.57 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.05 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.89 -32.95 15.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.7 t -80.19 -44.11 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.408 ' CD2' ' CD2' ' B' ' 94' ' ' LEU . 3.6 mm? -123.11 74.96 50.02 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.32 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.86 -10.39 28.36 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.524 2.149 . . . . 0.0 111.893 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -102.27 -32.25 10.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 t -67.25 -48.95 66.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.828 0.347 . . . . 0.0 110.715 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -57.96 -19.66 32.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.241 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.421 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 4.3 tm-20 -69.38 -41.68 76.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 110.668 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -66.53 -47.49 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.49 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 20.3 m-85 -62.9 -29.94 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 15.8 tt0 -58.78 -39.7 81.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.604 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.1 -24.9 40.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.753 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.28 -50.02 61.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.042 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -63.42 -33.34 75.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.849 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 12.3 mttm -70.15 -32.09 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.774 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -60.07 -49.52 77.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.79 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.08 -29.12 66.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.786 0.327 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.8 m -49.94 -28.14 6.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.317 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -59.14 -44.5 92.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.05 -29.9 39.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.018 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 64.7 mt -63.21 -50.15 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.863 0.363 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -49.3 -48.3 33.5 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.957 -0.639 . . . . 0.0 113.08 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.435 HG23 ' N ' ' B' ' 90' ' ' VAL . 14.2 t -62.24 -32.47 73.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.687 0.28 . . . . 0.0 111.081 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.435 ' N ' HG23 ' B' ' 89' ' ' THR . 25.6 t -80.39 -40.09 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.73 -31.9 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.389 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.63 -35.69 68.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.026 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.16 -46.46 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.449 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.408 ' CD2' ' CD2' ' A' ' 24' ' ' LEU . 4.2 mm? -115.67 75.65 5.27 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.529 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.73 -19.68 20.92 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.483 2.122 . . . . 0.0 111.842 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 75.1 p -93.95 -37.4 11.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.958 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' SER . . . . . . . . . . . . . 2.7 t -56.92 -50.01 73.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.657 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.426 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -51.82 -33.8 37.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -31.47 69.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 42.7 mt -72.68 -50.13 36.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.49 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 47.9 m-85 -62.43 -30.11 71.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.432 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 6.9 tt0 -60.63 -42.29 96.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.541 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.05 -23.27 52.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.622 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.53 -50.14 47.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.5 p90 -62.59 -35.17 78.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.759 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . 0.4 ' HD3' ' CE1' ' B' ' 105' ' ' TYR . 0.2 OUTLIER -72.7 -31.85 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.762 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -66.85 -50.12 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.809 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.05 -31.04 68.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.881 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 m -59.95 -50.0 75.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.09 -30.88 67.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.35 -25.61 49.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -43.24 66.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.67 -33.28 58.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.983 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.8 mt -77.29 -33.26 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.979 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.77 -31.66 73.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.823 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -70.97 -38.09 72.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.733 0.301 . . . . 0.0 111.012 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.4 p -80.36 -44.97 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.238 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.94 -34.82 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.212 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -51.99 -29.29 20.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.811 0.338 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.1 t -80.04 -42.51 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.065 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 27' ' ' SER . 4.0 mm? -119.47 75.7 17.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.19 -7.11 20.39 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.556 2.171 . . . . 0.0 112.085 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.65 -27.46 9.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.071 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.437 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 3.8 t -70.62 -49.51 46.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.633 0.254 . . . . 0.0 111.138 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.1 -29.52 1.55 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -59.06 -47.71 84.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mt -59.81 -35.34 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.772 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -72.28 -31.87 66.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.03 -31.8 70.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.517 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.68 -50.15 53.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.527 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.403 HD13 ' N ' ' A' ' 35' ' ' TYR . 4.1 pp -72.74 -26.76 61.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.503 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.403 ' N ' HD13 ' A' ' 34' ' ' LEU . 1.3 t80 -70.48 -46.56 63.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.463 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -80.08 -36.67 35.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -59.87 -50.13 74.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.6 -28.98 66.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.228 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.917 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.786 0.327 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 35.2 t -47.7 -29.02 2.72 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.282 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -57.3 -43.8 83.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -15.52 56.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.311 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 31.7 mt -79.81 -49.95 18.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.88 0.371 . . . . 0.0 111.352 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.08 -25.32 38.5 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.958 -0.639 . . . . 0.0 113.018 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 5.8 t -80.09 -39.8 28.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.705 0.288 . . . . 0.0 111.309 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 13.8 p -80.17 -38.37 18.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.383 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 47.6 t -55.95 -29.67 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -34.86 62.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.675 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 45.9 t -80.03 -45.0 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.909 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.408 ' CD2' ' HB3' ' B' ' 97' ' ' SER . 3.0 mp -116.34 70.43 4.3 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.01 -3.54 13.98 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.597 2.198 . . . . 0.0 112.479 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.15 -33.9 6.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 0.0 111.024 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' SER . . . . . 0.408 ' HB3' ' CD2' ' B' ' 94' ' ' LEU . 8.6 t -68.94 -37.96 79.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.424 ' N ' HD11 ' B' ' 98' ' ' LEU . 0.0 OUTLIER -59.03 -19.24 41.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.422 ' N ' ' CD1' ' B' ' 98' ' ' LEU . 0.7 OUTLIER -71.71 -31.13 66.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.831 0.348 . . . . 0.0 110.847 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 44.8 mt -70.99 -37.03 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.993 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -73.74 -31.47 63.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.44 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 0.6 OUTLIER -60.3 -49.95 75.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.639 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -70.56 -25.79 63.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.514 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -50.06 65.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.44 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.2 p90 -65.72 -29.68 70.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.723 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.3 -33.4 49.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -64.39 -50.18 68.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.776 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.53 -23.36 62.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.319 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 17.5 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.106 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -39.83 81.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.02 -47.02 21.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.4 t -52.08 -26.55 11.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.226 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -70.05 -44.12 69.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -43.13 22.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 56.8 mt -64.71 -30.1 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.5 -46.61 93.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.827 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 20' ' ' VAL . 10.6 t -60.57 -31.56 70.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.825 0.345 . . . . 0.0 111.083 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.413 ' N ' HG22 ' A' ' 19' ' ' THR . 18.9 t -80.33 -45.53 22.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.214 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.84 -31.77 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -31.28 50.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.792 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.3 t -80.12 -49.99 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.001 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.421 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 1.6 mp -110.95 74.82 1.01 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.309 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.9 -8.58 19.12 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.48 2.12 . . . . 0.0 112.33 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.2 p -108.73 -37.04 6.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.039 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.421 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 14.9 t -61.99 -34.94 77.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 pp -58.94 -28.82 66.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.846 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -38.64 70.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.949 0.404 . . . . 0.0 110.631 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -72.53 -37.28 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.558 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -72.44 -38.44 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.681 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -61.94 -41.01 97.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.381 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -31.25 58.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.429 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 2.9 tt -60.15 -50.02 75.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.605 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -70.77 -25.34 62.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.939 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -69.48 -50.12 48.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.281 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.41 ' CE2' ' HA ' ' A' ' 34' ' ' LEU . 1.3 p90 -70.46 -30.58 67.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.817 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.89 -30.9 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.019 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.796 0.332 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.4 p -55.95 -28.81 58.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.007 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -37.26 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -80.09 -30.8 39.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 41.7 mt -70.49 -37.37 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.92 -48.03 87.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.798 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.403 HG23 ' N ' ' B' ' 90' ' ' VAL . 11.8 t -59.87 -31.76 70.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.657 0.265 . . . . 0.0 111.12 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.403 ' N ' HG23 ' B' ' 89' ' ' THR . 38.5 t -80.08 -43.85 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.022 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 49.5 t -58.58 -31.06 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -52.8 -32.05 41.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.058 0.456 . . . . 0.0 110.709 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 49.0 t -80.1 -37.6 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.041 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' B' ' 97' ' ' SER . 4.0 mm? -123.71 71.63 50.14 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.32 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.94 -15.27 43.31 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.411 2.074 . . . . 0.0 111.832 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.6 p -96.21 -38.42 10.14 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' SER . . . . . 0.401 ' HB3' ' HB3' ' B' ' 94' ' ' LEU . 4.4 t -59.06 -46.73 87.53 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.919 0.39 . . . . 0.0 110.8 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.19 -39.53 6.32 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.428 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -54.6 -48.09 72.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.065 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 mp -63.87 -36.39 76.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -73.11 -29.4 62.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.969 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 3.5 mt-10 -57.42 -41.99 81.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -79.02 -25.96 43.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 tt -66.5 -49.93 64.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.9 OUTLIER -68.3 -32.16 72.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.41 -31.3 63.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -58.52 -49.34 77.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.84 70.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.79 0.328 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.8 p -57.67 -47.31 82.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.055 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.98 -35.12 37.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.9 t -53.02 -27.33 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.256 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -44.62 90.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.179 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -79.96 -42.63 23.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 68.5 mt -59.61 -47.13 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.076 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.27 -26.19 69.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.664 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.02 -29.04 39.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.744 0.307 . . . . 0.0 111.319 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.1 t -80.06 -30.1 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.588 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.405 ' CG2' ' CD1' ' A' ' 28' ' ' LEU . 22.0 t -53.46 -33.35 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.231 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -56.29 -28.16 57.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.6 t -79.99 -30.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 2.8 mt -145.49 69.53 13.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.187 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.05 -8.9 24.58 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.304 2.003 . . . . 0.0 111.724 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.49 -35.28 9.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.45 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 41.6 t -67.64 -41.35 84.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.861 0.362 . . . . 0.0 110.815 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' CD1' ' CG2' ' A' ' 21' ' ' VAL . 0.3 OUTLIER -52.88 -28.72 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -60.25 -29.16 68.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.4 mt -79.48 -44.8 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.209 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 16.6 m-85 -64.78 -45.13 87.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.057 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.443 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 22.4 pt-20 -58.52 -41.65 85.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -76.67 -25.7 54.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.012 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 tt -68.23 -50.03 56.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.2 p90 -66.67 -41.53 87.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -61.56 -36.22 80.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -66.91 -50.03 63.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.8 -23.71 66.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.386 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.5 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.16 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.741 0.305 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.45 -28.44 5.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -45.3 93.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -80.04 -30.24 39.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.26 -44.7 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.18 -45.07 57.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.818 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.419 HG21 ' N ' ' B' ' 90' ' ' VAL . 14.6 t -64.45 -30.94 71.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.419 ' N ' HG21 ' B' ' 89' ' ' THR . 24.9 t -80.22 -38.41 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.228 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 20.2 t -55.21 -38.83 48.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.348 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -27.63 10.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 17.8 t -80.0 -49.94 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.3 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.41 ' HB3' ' HB3' ' B' ' 97' ' ' SER . 4.2 mm? -120.56 72.97 21.71 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.6 -10.58 28.19 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.439 2.093 . . . . 0.0 112.237 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.7 p -104.16 -31.45 9.62 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.07 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' B' ' 94' ' ' LEU . 4.0 t -67.3 -43.5 81.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.414 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -53.68 -27.31 26.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.204 -179.766 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.09 -35.72 73.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.776 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 34.5 mt -80.08 -33.93 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 25.1 m-85 -75.56 -42.86 51.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.423 ' O ' ' CE2' ' B' ' 105' ' ' TYR . 12.3 pt-20 -55.95 -41.48 74.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.766 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -78.67 -17.6 55.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.4 tt -75.7 -50.15 16.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.423 ' CE2' ' O ' ' B' ' 102' ' ' GLU . 2.2 p90 -61.32 -39.39 90.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.894 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . 0.411 ' N ' ' CD1' ' B' ' 105' ' ' TYR . 0.8 OUTLIER -68.69 -31.4 70.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.787 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -60.41 -50.04 75.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.18 63.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.806 0.336 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -49.1 78.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.35 -44.08 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.6 m -50.09 -27.39 5.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.274 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.1 mtp85 -69.44 -48.21 61.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -73.69 -40.04 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.7 mt -64.65 -50.18 76.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.798 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.72 -25.97 56.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.425 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -34.67 37.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.675 0.274 . . . . 0.0 111.124 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.3 t -80.04 -32.2 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.59 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.419 HG22 ' CD1' ' A' ' 28' ' ' LEU . 42.3 t -50.14 -39.05 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.813 0.34 . . . . 0.0 111.265 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.57 -28.36 8.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.9 t -80.1 -32.87 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 3.6 mt -144.32 70.85 16.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.408 . . . . 0.0 111.444 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.83 -12.65 35.04 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.257 1.972 . . . . 0.0 111.488 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 p -96.81 -40.55 8.88 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.033 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 13.3 t -59.93 -42.39 93.88 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.808 0.337 . . . . 0.0 110.705 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.419 ' CD1' HG22 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -54.07 -34.46 60.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.16 -27.01 65.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 mt -73.28 -50.11 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.205 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -59.97 -34.3 73.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -57.2 -50.16 73.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.824 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -41.73 95.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.665 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mt -65.77 -46.86 77.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.578 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -35.33 79.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.677 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -79.95 -32.62 39.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.837 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -66.62 -49.16 67.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.48 -21.08 35.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.541 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.1 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.02 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.792 0.33 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 31.3 m -51.03 -27.26 7.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.268 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -58.97 -41.99 88.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -30.2 38.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 32.1 mt -69.28 -37.16 75.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.019 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.27 -42.05 95.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.728 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 13.3 t -66.31 -28.75 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.761 0.315 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.06 -35.11 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.258 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.31 -32.43 44.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -56.76 -30.34 63.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.109 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 20.6 t -79.99 -38.23 18.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.305 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 6.6 mp -134.3 70.35 73.18 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.26 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.45 -23.96 27.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.494 2.129 . . . . 0.0 111.959 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.8 m -86.91 -31.77 20.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.823 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' SER . . . . . . . . . . . . . 3.8 t -66.08 -46.79 76.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.749 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.97 -30.0 9.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.307 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.69 -48.02 78.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.68 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mp -63.69 -39.79 86.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.415 ' CZ ' ' HG ' ' A' ' 28' ' ' LEU . 30.3 m-85 -72.64 -28.38 62.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.933 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -54.69 -44.0 73.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 0.0 110.741 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -23.4 41.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.733 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.31 -50.27 41.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.107 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.38 -31.84 71.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.703 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -80.09 -31.98 39.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.671 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -60.63 -50.06 75.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.746 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.37 -21.35 49.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.268 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.013 -179.899 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.778 0.323 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 m -77.78 -33.34 52.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -30.27 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.97 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -28.15 40.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.164 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -74.15 -35.81 64.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -80.01 -29.48 39.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.9 mt -79.95 -48.28 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.35 -25.15 62.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.988 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 t -79.97 -39.49 29.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.721 0.296 . . . . 0.0 111.352 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.3 p -72.14 -31.22 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.203 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.0 t -55.05 -30.92 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.745 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -27.99 62.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.728 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.7 t -78.09 -50.13 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.414 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 4.0 mm? -117.18 77.12 9.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.54 -8.24 22.21 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.564 2.176 . . . . 0.0 112.283 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -110.12 -31.76 7.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.017 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.414 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 1.7 t -64.86 -48.26 74.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.46 -29.22 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.218 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -33.22 68.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.724 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.9 mt -80.24 -40.61 20.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.424 ' CZ ' HD13 ' B' ' 98' ' ' LEU . 12.2 m-85 -69.4 -45.92 68.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.066 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.417 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -55.31 -38.68 69.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.786 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -80.03 -23.07 41.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.732 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tt -70.02 -50.07 45.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.417 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 1.6 p90 -66.81 -31.0 71.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.957 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -31.52 67.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -59.65 -50.08 75.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.65 -19.42 65.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.335 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 61.2 mt . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.836 0.351 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -54.82 -36.24 64.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.998 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -39.37 81.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.689 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.99 -45.47 18.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.591 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . 0.456 ' HA ' HG13 ' B' ' 90' ' ' VAL . 34.4 mt -63.58 -33.4 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.707 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.44 -28.37 62.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.095 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.45 HG23 ' N ' ' B' ' 90' ' ' VAL . 9.7 t -80.07 -34.58 37.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.822 0.311 . . . . 0.0 111.471 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.456 HG13 ' HA ' ' B' ' 87' ' ' ILE . 15.0 p -80.4 -36.28 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.752 0.31 . . . . 0.0 111.171 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' B' ' 87' ' ' ILE . 61.2 t -57.81 -26.09 27.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.31 -43.37 83.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.987 0.422 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 47.3 t -80.25 -27.27 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.578 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.424 ' HG ' ' HB3' ' B' ' 97' ' ' SER . 12.6 tp -129.49 55.54 19.02 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.249 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -82.47 -2.66 11.15 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.696 2.264 . . . . 0.0 112.543 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 13.3 t -103.26 -36.86 7.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.242 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' SER . . . . . 0.424 ' HB3' ' HG ' ' B' ' 94' ' ' LEU . 3.6 t -66.71 -46.73 74.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.797 0.332 . . . . 0.0 111.019 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.424 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -45.57 -29.66 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.465 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -57.64 -36.87 72.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.373 . . . . 0.0 110.787 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.68 -33.82 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -73.96 -30.7 62.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.44 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -59.82 -49.41 77.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.572 179.831 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -19.47 61.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.91 -50.04 26.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.043 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.447 ' CE1' ' CG ' ' B' ' 106' ' ' LYS . 1.7 p90 -62.11 -28.54 69.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.914 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . 0.447 ' CG ' ' CE1' ' B' ' 105' ' ' TYR . 6.8 mtpm? -77.3 -32.27 55.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.823 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -67.47 -50.11 60.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.01 -29.9 69.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.061 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.786 0.326 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 m -63.13 -43.01 99.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.2 -50.08 20.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.023 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -49.46 -27.38 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.299 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -65.49 -42.34 92.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.061 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -16.88 54.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.504 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.4 mt -80.08 -49.92 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.088 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.84 -26.1 32.17 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.954 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 t -80.03 -39.09 30.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.733 0.267 . . . . 0.0 111.441 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 21' ' ' VAL . 13.6 p -79.87 -30.45 13.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.772 0.32 . . . . 0.0 111.454 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.459 ' N ' HG11 ' A' ' 20' ' ' VAL . 60.0 t -60.18 -33.96 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.757 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -58.27 -26.16 62.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 t -80.02 -34.77 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.418 ' CD1' ' CB ' ' A' ' 27' ' ' SER . 1.6 mt -137.22 66.25 52.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 0.0 111.208 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.66 -11.62 31.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.397 2.065 . . . . 0.0 111.834 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -40.9 8.52 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.418 ' CB ' ' CD1' ' A' ' 24' ' ' LEU . 1.8 t -61.41 -37.68 84.35 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.836 0.35 . . . . 0.0 110.645 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.407 ' HG ' ' CZ ' ' B' ' 101' ' ' PHE . 0.2 OUTLIER -54.55 -28.72 47.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -58.81 -38.72 79.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.3 mt -69.27 -49.06 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -63.92 -29.7 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 25.0 tt0 -58.2 -41.63 84.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -79.98 -22.71 42.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.53 -46.85 58.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.185 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.435 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 1.6 p90 -70.51 -31.35 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.008 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 16.4 mtpt -76.26 -30.52 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.64 -50.1 70.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.43 71.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.161 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.774 0.321 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.6 m -50.19 -28.43 7.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -44.17 95.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -80.14 -21.92 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.178 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 35.2 mt -80.02 -43.19 22.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.818 0.342 . . . . 0.0 111.175 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.83 -30.39 69.41 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.918 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 8.9 t -75.65 -38.29 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.664 0.269 . . . . 0.0 111.148 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 11.0 p -79.98 -37.99 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.243 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.24 -33.68 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -27.72 24.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.997 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 40.3 t -79.86 -44.46 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.981 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' B' ' 97' ' ' SER . 4.3 mm? -127.84 72.14 78.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.279 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.42 -16.37 51.01 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.441 2.094 . . . . 0.0 111.901 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -37.84 9.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' SER . . . . . 0.426 ' CB ' ' HB3' ' B' ' 94' ' ' LEU . 1.6 t -61.72 -36.68 81.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.823 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.92 -36.0 80.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.699 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.33 -30.67 60.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.958 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 29.2 mt -70.8 -44.59 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.407 ' CZ ' ' HG ' ' A' ' 28' ' ' LEU . 12.5 m-85 -73.95 -31.73 63.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.433 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 65.2 tt0 -60.25 -43.85 95.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -80.04 -22.58 42.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.64 -49.93 55.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.175 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.5 OUTLIER -61.88 -40.64 96.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.939 -179.75 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -30.53 69.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -70.58 -50.07 41.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.07 -22.9 63.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.347 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.987 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.761 0.315 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.29 -48.33 82.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.8 mt -80.04 -39.8 29.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 t -50.2 -27.43 5.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -64.28 -48.42 75.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -43.17 22.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.1 mt -59.73 -50.04 81.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.01 -27.52 64.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.62 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.13 -42.52 23.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.812 0.339 . . . . 0.0 111.268 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 p -74.87 -45.03 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.461 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.6 t -53.72 -27.67 15.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.133 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -56.97 -29.96 63.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.617 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.79 -50.1 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.955 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mp -118.01 65.32 5.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.12 -26.56 30.49 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.646 2.23 . . . . 0.0 112.1 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 p -82.88 -37.45 24.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -68.5 -29.53 68.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.801 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.26 -30.34 69.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.614 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.25 -40.4 85.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.813 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.8 mt -65.75 -44.56 93.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.416 ' CD2' ' CE2' ' B' ' 101' ' ' PHE . 32.9 m-85 -64.9 -27.81 69.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -57.25 -48.66 78.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -72.45 -23.83 61.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.637 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -50.12 60.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.427 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -67.17 -32.45 73.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -76.41 -35.08 58.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.76 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.32 -50.1 74.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.72 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.16 -23.3 64.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.245 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.904 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 32.1 t -52.58 -26.76 14.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -59.24 -46.51 88.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -35.81 35.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 52.1 mt -68.31 -50.11 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.46 -22.16 58.51 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.477 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.5 -40.11 30.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 11.2 p -80.15 -39.38 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.243 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 56.2 t -57.98 -29.19 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 4.7 mtp-105 -56.05 -30.21 61.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.737 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 58.5 t -80.03 -49.94 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.434 ' HB3' ' HB3' ' B' ' 97' ' ' SER . 1.1 mp -116.19 65.55 2.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.43 -40.77 5.42 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.538 2.159 . . . . 0.0 112.058 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.7 p -68.41 -32.62 72.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.561 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' SER . . . . . 0.434 ' HB3' ' HB3' ' B' ' 94' ' ' LEU . 11.9 t -70.25 -31.47 68.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.769 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.35 -31.77 70.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.398 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -31.66 68.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 43.3 mt -67.77 -49.84 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.025 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.416 ' CE2' ' CD2' ' A' ' 31' ' ' PHE . 12.7 m-85 -64.81 -37.58 88.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.763 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.445 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 2.3 mt-10 -61.16 -49.26 77.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.493 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -28.12 65.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.513 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.79 -50.02 72.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.733 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.445 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.0 OUTLIER -69.41 -20.08 63.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -50.2 74.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.331 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -78.5 -28.17 46.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.064 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.15 -29.37 63.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.185 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.024 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.747 0.308 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -48.38 79.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -48.48 68.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.55 -28.3 8.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -34.7 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -80.11 -32.44 39.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.019 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.401 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 38.0 mt -66.55 -50.32 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.087 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.24 -22.02 57.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.721 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -37.33 34.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.728 0.299 . . . . 0.0 111.102 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 21' ' ' VAL . 12.1 p -80.15 -30.77 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.557 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.46 ' N ' HG11 ' A' ' 20' ' ' VAL . 45.2 t -56.62 -34.98 43.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.166 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -54.25 -28.83 44.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -80.03 -38.15 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.186 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 2.8 mt -137.19 70.59 55.28 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.278 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.3 -7.38 20.85 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.447 2.098 . . . . 0.0 111.893 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 m -104.85 -33.93 8.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.253 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.455 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 9.9 t -70.51 -32.74 70.33 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -34.97 63.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -58.21 -32.89 68.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.5 mt -64.73 -45.79 94.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.808 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.452 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 51.9 m-85 -71.09 -25.91 62.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.434 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -56.42 -40.78 75.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.978 0.418 . . . . 0.0 110.622 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.12 -25.41 39.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.69 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.9 -50.11 65.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -63.15 -37.03 85.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.971 0.415 . . . . 0.0 110.822 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -76.84 -31.09 56.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.766 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -59.87 -50.11 75.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.712 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.56 -31.25 71.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.757 0.313 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 49.9 m -54.59 -30.76 55.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.018 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -42.68 94.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.06 -39.63 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 20.2 mt -63.7 -32.5 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.73 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.14 -46.62 92.5 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.552 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.431 HG23 ' N ' ' B' ' 90' ' ' VAL . 13.9 t -60.94 -30.22 70.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.822 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.431 ' N ' HG23 ' B' ' 89' ' ' THR . 19.2 t -80.13 -36.14 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.1 -37.58 62.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.11 -26.88 7.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.075 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 27.3 t -80.04 -44.84 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.403 ' HB3' ' CB ' ' B' ' 97' ' ' SER . 4.0 mm? -127.48 70.7 76.55 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.511 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -65.93 -19.12 58.36 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.412 2.075 . . . . 0.0 111.626 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 26.9 m -92.05 -40.53 11.03 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' SER . . . . . 0.403 ' CB ' ' HB3' ' B' ' 94' ' ' LEU . 4.5 t -57.45 -44.16 84.52 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.852 0.358 . . . . 0.0 110.804 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.417 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -52.43 -30.89 31.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.056 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -39.67 84.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.3 mt -70.79 -35.29 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.452 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 18.6 m-85 -76.44 -29.88 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.426 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 36.2 tt0 -58.46 -41.9 86.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.79 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -79.98 -24.32 40.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -50.01 61.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.426 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.6 OUTLIER -63.84 -33.84 76.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.817 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . 0.414 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 0.6 OUTLIER -79.85 -30.27 40.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -57.8 -50.04 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.66 73.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.741 0.305 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -35.97 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.984 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mt -80.03 -41.46 25.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.036 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.84 -27.47 30.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.267 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -40.43 88.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.11 -28.6 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.132 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.3 mt -71.7 -47.19 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 111.064 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.18 -38.09 39.38 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.988 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 20' ' ' VAL . 13.3 t -70.09 -32.14 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.699 0.285 . . . . 0.0 111.045 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.439 ' N ' HG22 ' A' ' 19' ' ' THR . 21.2 t -80.29 -35.9 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 t -57.15 -33.56 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.328 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -31.63 52.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.131 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 t -80.13 -42.31 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.251 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.408 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 7.9 mp -132.98 68.31 78.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.282 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.14 -18.62 65.92 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.514 2.143 . . . . 0.0 112.236 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -95.9 -39.14 9.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.097 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.408 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 1.4 t -59.5 -40.62 87.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.002 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -60.18 -40.73 90.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.661 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -56.79 -27.94 60.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.026 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mt -73.28 -38.76 54.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.459 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 3.6 m-85 -73.01 -29.69 63.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.423 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 6.6 tt0 -57.77 -49.58 76.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.704 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.8 -27.39 63.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -49.97 69.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.947 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.423 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -68.23 -28.09 66.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 1.5 mmmp? -77.85 -46.59 21.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.746 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -64.68 -50.02 68.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.55 -26.11 66.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.227 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.852 0.358 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.64 -27.79 59.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -59.38 -41.9 90.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -79.88 -33.95 39.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 27.5 mt -70.5 -50.09 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.06 -19.7 57.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.617 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -32.85 39.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.678 0.275 . . . . 0.0 111.312 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 11.9 t -80.08 -30.71 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.628 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -54.33 -33.57 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.216 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -55.96 -27.15 51.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.757 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 22.9 t -80.06 -33.44 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' B' ' 97' ' ' SER . 3.3 mt -141.83 69.52 24.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.237 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.29 -17.88 62.18 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.372 2.048 . . . . 0.0 111.414 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -41.4 11.8 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.666 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' SER . . . . . 0.436 ' HB2' ' CD2' ' B' ' 94' ' ' LEU . 3.8 t -58.57 -49.94 75.6 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.917 0.389 . . . . 0.0 110.631 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.453 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -55.19 -32.91 62.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.042 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -59.09 -42.27 90.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.932 0.396 . . . . 0.0 110.839 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.7 mt -68.22 -46.29 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.459 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 42.2 m-85 -64.97 -31.13 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.888 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.42 ' O ' ' CD1' ' B' ' 105' ' ' TYR . 0.6 OUTLIER -57.91 -39.37 77.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.714 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.05 -29.25 39.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.387 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' B' ' 107' ' ' TYR . 2.7 tt -64.73 -49.19 71.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.789 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.42 ' CD1' ' O ' ' B' ' 102' ' ' GLU . 0.9 OUTLIER -73.79 -16.5 61.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.274 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -50.12 11.3 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.214 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . 0.423 ' CE2' HD21 ' B' ' 104' ' ' LEU . 1.5 p90 -67.78 -30.76 70.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.26 86.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 179.934 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.701 0.286 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -56.55 -41.92 77.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mt -80.08 -40.53 27.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 p -54.67 -24.64 22.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.42 -49.88 69.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -76.34 -29.79 57.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.1 mt -76.58 -50.21 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.713 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.83 -21.02 54.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.218 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -47.26 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 t -80.1 -35.61 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.193 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.2 t -56.01 -30.67 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.801 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -53.98 -30.85 48.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.421 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.3 t -73.88 -48.28 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.642 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.411 ' HB2' HD23 ' B' ' 94' ' ' LEU . 3.9 mm? -121.48 67.45 19.58 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.86 -18.94 65.95 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.41 2.073 . . . . 0.0 111.658 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -90.26 -40.85 11.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.8 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.414 ' HB2' ' CG2' ' B' ' 90' ' ' VAL . 1.0 OUTLIER -61.49 -31.52 71.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.873 0.368 . . . . 0.0 110.546 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.71 -38.63 72.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -53.2 -39.14 63.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.502 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.8 mp -72.72 -34.29 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.08 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -71.93 -44.37 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 8.7 pt-20 -56.76 -41.99 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.353 . . . . 0.0 110.731 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -29.35 60.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.557 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.06 -50.01 72.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.434 ' CZ ' ' HG2' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -69.43 -30.91 68.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.884 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -74.38 -32.54 62.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.776 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -68.98 -42.51 76.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.92 -28.5 55.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.346 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.771 0.32 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.8 -25.03 17.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -59.98 -43.11 95.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.747 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.13 -33.99 38.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 29.6 mt -73.47 -29.24 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.45 -35.95 91.98 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.999 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 6.9 t -71.71 -35.79 70.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.692 0.246 . . . . 0.0 111.18 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 27' ' ' SER . 14.7 p -80.33 -42.26 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 0.0 111.185 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . 0.403 HG12 ' CD1' ' B' ' 98' ' ' LEU . 73.2 t -58.79 -29.8 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.727 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -51.15 -35.07 33.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.137 0.494 . . . . 0.0 110.276 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 49.1 t -80.18 -26.39 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.63 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.43 ' N ' ' HD3' ' B' ' 95' ' ' PRO . 0.7 OUTLIER -134.18 63.29 60.89 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.056 -179.773 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' B' ' 94' ' ' LEU . 5.4 Cg_exo -78.57 -47.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.793 2.329 . . . . 0.0 112.012 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 47.1 t -62.1 -30.82 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' SER . . . . . 0.423 ' HB3' HD22 ' B' ' 94' ' ' LEU . 22.9 t -74.28 -33.37 63.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.108 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.403 ' CD1' HG12 ' B' ' 91' ' ' VAL . 0.4 OUTLIER -44.91 -39.38 5.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.474 -179.827 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -27.22 25.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.1 mt -78.17 -39.79 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -74.14 -31.75 62.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.435 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 23.2 tt0 -59.23 -47.29 85.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.709 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.87 -23.85 59.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.689 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 2.4 tt -68.54 -48.27 64.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.5 p90 -66.45 -34.95 79.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.859 0.362 . . . . 0.0 110.938 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . 0.408 ' HD3' ' CE1' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -71.82 -30.12 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.787 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -60.84 -50.15 74.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.1 87.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.221 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.827 0.346 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -75.28 -31.47 60.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.07 -32.93 65.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 p -59.26 -22.49 61.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -79.86 -50.12 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.138 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -33.88 76.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.135 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.5 mt -70.84 -49.49 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.57 -19.47 58.05 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.71 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -38.96 41.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.916 0.389 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.12 -30.04 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.26 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.9 t -59.0 -38.45 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.265 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -32.67 9.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.941 0.4 . . . . 0.0 111.06 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.32 -41.04 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.467 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.42 ' HB2' HD23 ' B' ' 94' ' ' LEU . 4.3 mm? -125.86 71.52 68.12 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 111.574 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.16 -17.55 54.87 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.331 2.021 . . . . 0.0 111.172 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -88.63 -40.92 12.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.606 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.1 m -59.57 -47.05 87.08 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.949 0.404 . . . . 0.0 110.46 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.17 -48.9 4.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.524 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.14 -35.09 72.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mm -72.73 -46.62 53.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.415 ' CE1' HG23 ' B' ' 91' ' ' VAL . 23.0 m-85 -69.79 -40.91 75.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.436 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 1.3 tm-20 -58.86 -41.37 86.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.98 0.419 . . . . 0.0 110.645 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.07 -26.52 53.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.686 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -50.06 66.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 1.3 p90 -64.05 -29.91 71.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 2.8 mmtp -76.28 -36.77 58.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.767 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -59.71 -50.05 75.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.736 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -26.19 68.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.253 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 70.8 m -52.91 -24.92 10.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -44.33 89.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.043 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -40.12 89.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.865 0.364 . . . . 0.0 110.819 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 21.7 mt -74.93 -28.22 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.76 -26.32 74.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.656 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.466 HG23 ' N ' ' B' ' 90' ' ' VAL . 12.0 t -79.63 -34.87 40.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.686 0.279 . . . . 0.0 111.049 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.466 ' N ' HG23 ' B' ' 89' ' ' THR . 12.5 p -80.41 -44.2 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.119 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . 0.415 HG23 ' CE1' ' A' ' 31' ' ' PHE . 58.6 t -62.27 -33.71 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.52 -29.29 4.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.942 0.401 . . . . 0.0 110.574 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 85.9 t -80.05 -49.88 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.701 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 24' ' ' LEU . 1.1 mp -111.46 71.94 0.92 Allowed Pre-proline 0 N--CA 1.453 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.261 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.66 -24.21 22.05 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.486 2.124 . . . . 0.0 111.752 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.03 -33.86 22.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.744 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' SER . . . . . . . . . . . . . 21.2 t -65.37 -43.34 91.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.0 110.689 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.07 -36.53 60.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.28 -31.81 63.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 26.5 mt -68.98 -39.33 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -72.7 -30.04 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -59.77 -36.2 76.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -50.19 59.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.83 -25.63 63.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.87 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.414 ' CZ ' ' HA ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -53.97 -50.03 67.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -78.37 -33.11 49.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -60.89 -49.99 75.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.0 -29.4 70.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.267 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.938 -179.9 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.792 0.329 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.69 -49.61 72.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 mt -80.07 -34.47 38.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.99 -29.24 42.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -37.74 85.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.89 -34.45 39.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 mt -70.84 -50.0 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.6 -19.28 54.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.447 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -39.33 30.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 110.984 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 t -80.0 -28.67 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.354 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.7 t -54.71 -30.69 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -57.99 -28.43 64.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.686 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.0 t -80.0 -39.72 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 mp -131.77 69.58 81.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.278 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.43 -28.15 54.38 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.671 2.247 . . . . 0.0 111.841 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -84.12 -37.93 21.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -58.68 -43.3 89.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.794 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.46 -43.49 16.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.344 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.95 -29.92 31.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.02 -45.04 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -72.29 -35.57 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.786 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.43 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -60.87 -40.68 93.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.645 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -80.11 -24.56 40.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.645 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.23 -49.25 65.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.034 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.43 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -63.5 -38.24 90.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.826 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -32.07 73.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.771 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -70.65 -49.96 41.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.74 -29.29 62.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.212 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.8 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.895 179.874 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.795 0.331 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.2 m -52.37 -28.58 20.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.187 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -59.27 -43.96 92.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -80.07 -28.41 39.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 26.5 mt -74.01 -43.77 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.41 -38.43 62.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.826 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.444 HG21 ' N ' ' B' ' 90' ' ' VAL . 10.3 t -68.64 -33.83 74.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.956 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.444 ' N ' HG21 ' B' ' 89' ' ' THR . 22.1 t -80.23 -40.61 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.59 -32.54 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -29.8 42.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.35 -40.0 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.986 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 mp -130.43 70.7 82.4 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.193 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.25 -32.09 34.12 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.731 2.287 . . . . 0.0 111.77 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -80.38 -35.47 35.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.799 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' SER . . . . . . . . . . . . . 1.3 t -60.31 -47.03 87.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.822 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.15 -33.97 69.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.771 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -56.0 -32.9 64.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 17.9 mt -73.63 -40.29 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.402 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 97.7 m-85 -70.35 -28.25 64.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.425 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 3.2 mt-10 -60.07 -49.93 75.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.791 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.92 -30.51 62.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.42 ' HA ' ' CE2' ' B' ' 107' ' ' TYR . 0.0 OUTLIER -62.84 -43.19 99.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.448 179.725 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 0.5 OUTLIER -80.0 -17.88 51.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.047 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.41 -50.1 68.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.185 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . 0.42 ' CE2' ' HA ' ' B' ' 104' ' ' LEU . 6.0 p90 -77.93 -28.8 49.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.741 0.305 . . . . 0.0 111.086 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.91 -29.28 59.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.219 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.749 0.309 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 t -59.69 -48.44 81.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.99 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -44.72 63.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.6 m -57.22 -26.16 60.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -71.63 -41.83 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.03 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -73.86 -26.65 60.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.109 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.2 mt -78.95 -30.91 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.946 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.7 -26.2 74.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.596 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.2 t -79.68 -35.6 38.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.322 . . . . 0.0 111.016 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.1 p -80.09 -43.6 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.438 ' CG1' HD21 ' A' ' 28' ' ' LEU . 92.3 t -60.18 -29.93 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.0 ttp85 -55.28 -34.02 63.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.5 t -80.11 -50.04 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.317 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.444 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 1.6 mm? -114.8 66.16 1.78 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.287 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.11 -13.13 33.42 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.453 2.102 . . . . 0.0 111.916 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.98 -40.07 10.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.444 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 7.8 t -66.62 -32.01 73.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.943 0.402 . . . . 0.0 110.561 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD21 ' CG1' ' A' ' 21' ' ' VAL . 0.3 OUTLIER -55.57 -43.35 75.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.765 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -52.41 -30.63 30.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.9 mm -66.59 -42.78 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.808 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -77.15 -31.28 55.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.795 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 37.7 tt0 -58.47 -50.09 74.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.593 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -71.09 -23.59 62.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.46 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tt -67.68 -50.07 59.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.973 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.43 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 1.5 p90 -66.24 -36.83 84.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.753 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.43 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -61.97 -46.47 89.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.025 0.441 . . . . 0.0 110.687 179.833 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.03 -42.72 99.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.802 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.95 -21.18 42.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.513 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.773 0.32 . . . . 0.0 111.003 179.885 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 51.6 m -51.96 -26.94 11.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.211 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -58.64 -44.84 90.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -80.02 -28.25 39.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.995 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 27.9 mt -69.23 -33.98 60.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.25 -35.81 86.16 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.642 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.438 HG22 ' N ' ' B' ' 90' ' ' VAL . 15.1 t -74.78 -30.52 61.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 110.967 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.438 ' N ' HG22 ' B' ' 89' ' ' THR . 21.5 t -80.28 -46.05 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 24.8 t -59.48 -34.42 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.49 -35.17 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 25.5 t -80.11 -46.33 22.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.157 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' B' ' 97' ' ' SER . 3.1 mm? -117.3 69.89 5.72 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.279 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.59 -5.07 16.1 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.423 2.082 . . . . 0.0 112.269 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -109.28 -36.98 5.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.167 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' SER . . . . . 0.437 ' HB3' ' HB3' ' B' ' 94' ' ' LEU . 9.7 t -64.32 -33.05 74.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.727 0.298 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.12 -33.02 50.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.067 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -56.16 -40.02 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 40.0 mt -71.22 -36.53 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -75.71 -29.59 59.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.408 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 2.3 mt-10 -56.81 -45.8 82.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.747 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -76.22 -25.73 55.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.655 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.4 tt -65.84 -49.93 66.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.418 ' CZ ' ' HG2' ' B' ' 106' ' ' LYS . 0.6 OUTLIER -69.51 -35.79 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.759 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . 0.418 ' HG2' ' CZ ' ' B' ' 105' ' ' TYR . 0.1 OUTLIER -72.6 -38.38 67.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.8 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -59.1 -45.5 90.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.26 -24.25 63.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.198 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 28.7 mt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.019 -179.878 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.868 0.366 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t -75.06 -43.04 55.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.9 -49.08 76.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 t -54.24 -25.48 23.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -79.06 -45.94 19.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.107 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -75.62 -34.86 60.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.949 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.433 HD11 HG23 ' A' ' 17' ' ' ILE . 56.8 mt -80.04 -44.43 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.812 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.03 -25.53 64.4 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.745 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 20' ' ' VAL . 10.2 t -80.07 -38.27 32.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.692 0.282 . . . . 0.0 111.019 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.421 ' N ' HG22 ' A' ' 19' ' ' THR . 13.0 p -80.2 -40.01 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.251 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.4 t -54.94 -29.08 21.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.14 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -31.51 63.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.794 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.5 t -80.22 -50.18 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.182 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mp -114.82 72.47 2.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.265 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.83 -20.08 15.59 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.578 2.185 . . . . 0.0 112.144 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.19 -37.34 12.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 t -60.52 -38.91 85.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.856 0.36 . . . . 0.0 110.685 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.11 -29.0 43.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.018 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -57.13 -43.56 82.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.789 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.0 mp -68.26 -31.32 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.792 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -78.83 -27.57 44.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.41 -50.11 74.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.816 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.24 -50.04 74.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.465 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -37.93 87.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.875 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -44.81 95.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.419 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -79.35 -29.94 42.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.88 -50.02 75.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.54 -27.95 69.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.766 0.317 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 70.9 m -54.65 -29.46 52.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.16 -45.57 92.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -79.95 -37.7 33.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 16.6 mt -66.21 -45.16 90.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.28 -49.27 25.68 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.049 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.433 HG22 ' N ' ' B' ' 90' ' ' VAL . 4.8 t -59.57 -33.6 71.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.326 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.433 ' N ' HG22 ' B' ' 89' ' ' THR . 21.9 t -80.29 -42.04 21.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.224 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 11.3 t -59.06 -36.62 63.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.244 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -28.85 9.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 32.0 t -80.13 -48.48 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.046 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.45 ' HB3' ' HB3' ' B' ' 97' ' ' SER . 3.5 mm? -117.78 69.2 6.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.97 -7.54 20.85 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.452 2.101 . . . . 0.0 112.162 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.6 p -104.25 -36.8 7.51 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' SER . . . . . 0.45 ' HB3' ' HB3' ' B' ' 94' ' ' LEU . 42.4 t -64.43 -38.44 91.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.884 0.373 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.92 -30.9 59.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.268 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.67 -35.31 72.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.2 mt -66.4 -47.26 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.036 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -66.75 -26.98 67.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 10.1 tt0 -56.89 -46.69 81.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.397 . . . . 0.0 110.738 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -15.5 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.006 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 2.2 tt -74.8 -50.01 18.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.092 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.5 OUTLIER -60.2 -39.87 88.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.925 0.393 . . . . 0.0 110.872 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -70.73 -30.7 67.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.7 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -71.27 -49.96 37.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.808 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.51 -37.34 78.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 51.5 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.856 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.814 0.34 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 m -59.34 -32.67 70.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.981 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 mt -80.23 -30.29 38.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.2 m -62.32 -49.96 73.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.287 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -56.94 -31.96 65.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.223 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -72.09 -35.62 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.945 0.403 . . . . 0.0 110.799 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 mt -77.0 -46.78 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.754 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.4 -40.63 86.35 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.631 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 20' ' ' VAL . 7.9 t -61.44 -39.23 90.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 110.814 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.403 ' N ' HG22 ' A' ' 19' ' ' THR . 22.3 t -80.21 -35.03 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.061 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.9 t -58.84 -35.84 58.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.06 -32.16 9.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.006 0.431 . . . . 0.0 110.76 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.7 t -80.18 -41.43 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.801 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 4.4 mm? -125.3 73.41 67.15 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.268 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.58 -11.01 30.15 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.524 2.15 . . . . 0.0 112.104 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -104.37 -35.64 7.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.064 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 3.1 t -63.02 -37.58 87.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.88 0.372 . . . . 0.0 110.743 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -33.43 70.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.788 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -31.49 66.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.0 mt -78.85 -48.23 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.08 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' CE1' ' HG ' ' B' ' 98' ' ' LEU . 12.9 m-85 -65.0 -31.62 72.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.038 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 1.6 tt0 -60.1 -50.08 75.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.775 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.54 -20.51 62.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -50.14 29.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.442 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.7 p90 -64.86 -29.25 70.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.415 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 30.3 mttt -77.05 -30.73 55.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -69.59 -49.93 49.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.23 -22.69 63.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.151 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.817 0.341 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 21.7 p -55.22 -26.96 42.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.036 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -58.63 -47.09 85.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -37.19 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.664 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' B' ' 91' ' ' VAL . 35.7 mt -65.51 -21.82 29.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.179 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.59 -29.3 73.83 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.862 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 2.9 t -80.15 -36.03 35.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.598 0.237 . . . . 0.0 111.423 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 14.4 p -74.28 -41.37 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.405 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' B' ' 87' ' ' ILE . 65.7 t -57.69 -30.25 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.764 0.316 . . . . 0.0 110.887 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -56.27 -27.61 55.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.657 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 38.4 t -80.07 -37.8 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.449 ' HB3' ' HB3' ' B' ' 97' ' ' SER . 3.0 mt -136.6 72.2 57.31 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.262 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.0 -6.04 17.93 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.361 2.041 . . . . 0.0 111.857 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 95.6 p -106.44 -33.67 7.65 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.266 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' SER . . . . . 0.449 ' HB3' ' HB3' ' B' ' 94' ' ' LEU . 40.6 t -67.55 -40.57 84.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.784 0.326 . . . . 0.0 110.811 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.407 ' HG ' ' CE1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -53.03 -32.26 45.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -32.89 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.3 mt -73.83 -35.44 43.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.945 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -76.62 -34.21 58.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.443 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 2.7 mt-10 -59.43 -50.2 74.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.607 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -70.3 -27.26 64.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.486 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 tt -63.73 -49.89 71.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.806 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.443 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.1 p90 -68.86 -22.01 64.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -67.1 -50.18 62.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.407 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -72.8 -29.49 63.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.107 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.15 -27.35 61.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.183 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.819 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.702 0.287 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 t -66.94 -47.47 71.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.993 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 mt -78.79 -28.79 44.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.043 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.73 -31.74 64.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.052 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -42.83 71.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -65.7 -37.04 85.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.0 mt -72.46 -28.41 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.065 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.81 -29.54 73.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.54 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 20' ' ' VAL . 13.8 t -78.5 -31.13 47.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.899 0.381 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.437 ' N ' HG23 ' A' ' 19' ' ' THR . 12.0 t -80.25 -49.63 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.409 ' CG1' ' CD2' ' A' ' 28' ' ' LEU . 44.7 t -57.68 -32.77 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -27.99 45.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.8 t -79.96 -39.54 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.255 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 5.6 mp -134.18 65.07 68.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.277 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -58.34 -25.65 73.83 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.323 2.015 . . . . 0.0 111.37 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.64 -38.53 33.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.577 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.41 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 4.1 t -67.01 -33.58 75.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.921 0.391 . . . . 0.0 110.511 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.409 ' CD2' ' CG1' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -54.39 -33.5 59.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.836 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.46 -32.66 67.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.22 -50.07 66.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.967 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.493 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 49.6 m-85 -68.04 -31.06 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.685 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 40.7 tt0 -57.71 -39.65 77.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.665 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.12 -20.16 45.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.624 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.06 -50.09 10.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.504 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 32' ' ' GLU . 1.6 p90 -68.97 -38.62 79.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.374 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -41.48 75.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.058 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -53.48 -50.11 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.47 -29.77 66.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.864 0.364 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 66.4 m -51.06 -29.43 12.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -44.2 89.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -79.97 -32.93 39.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 18.9 mt -71.82 -50.13 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.918 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.52 -26.34 64.36 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.374 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -42.4 72.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 11.2 t -78.64 -34.51 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.976 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 86.7 t -55.39 -26.8 19.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.694 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -55.72 -35.97 66.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 66.1 t -79.99 -30.65 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.781 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' B' ' 97' ' ' SER . 1.1 mp -136.63 67.0 58.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.048 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.97 -35.77 11.45 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.755 2.304 . . . . 0.0 112.127 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -75.58 -32.74 60.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.981 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' SER . . . . . 0.446 ' HB3' ' HB3' ' B' ' 94' ' ' LEU . 16.9 t -70.71 -31.57 68.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.994 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.83 -34.2 69.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.555 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.81 -27.68 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.596 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 24.3 mm -66.58 -50.11 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.493 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 90.3 m-85 -68.51 -37.99 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -62.57 -29.25 70.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.46 -50.07 15.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.88 -36.83 85.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -59.33 -38.3 79.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.1 -33.98 38.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -64.7 -44.24 90.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.014 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.54 -25.61 67.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.464 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 48.2 mt . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 120.772 0.32 . . . . 0.0 111.005 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.855 0.359 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -42.07 98.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.8 mt -80.09 -29.97 39.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.053 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -29.29 58.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.206 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -35.24 80.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.36 -28.09 41.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.4 mt -79.97 -49.5 19.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.69 -25.55 51.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.854 -0.689 . . . . 0.0 113.087 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 20' ' ' VAL . 8.2 t -79.6 -39.86 30.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.72 0.295 . . . . 0.0 111.133 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.417 ' N ' HG23 ' A' ' 19' ' ' THR . 11.6 p -80.08 -38.68 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.283 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.4 t -56.29 -31.11 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -30.94 48.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.8 t -79.81 -49.65 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.864 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mp -117.07 72.92 6.43 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.021 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.13 -28.77 23.08 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.49 2.127 . . . . 0.0 111.958 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.7 t -83.74 -34.46 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.683 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -60.33 -47.33 86.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.728 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.95 -31.47 2.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.35 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -56.81 -30.88 64.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mt -80.03 -42.21 21.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.02 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -69.39 -39.38 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.434 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 1.3 tt0 -60.02 -42.38 94.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.11 -22.61 52.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.71 -49.99 41.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.972 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.434 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.7 p90 -62.94 -38.56 91.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.788 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -31.5 59.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -69.29 -43.8 73.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.87 -13.37 62.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.518 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.701 0.286 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 74.7 m -49.36 -27.5 4.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.256 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -49.98 75.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.08 -25.24 40.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 34.2 mt -79.1 -38.48 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.17 -25.46 68.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.711 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.405 HG23 ' N ' ' B' ' 90' ' ' VAL . 6.9 t -79.98 -37.41 34.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.73 0.3 . . . . 0.0 111.041 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.405 ' N ' HG23 ' B' ' 89' ' ' THR . 12.6 p -80.18 -40.98 20.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.272 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 89.8 t -56.68 -30.18 31.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -53.86 -31.53 49.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.58 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 55.7 t -80.2 -49.8 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.9 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 mp -116.13 69.1 3.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.27 -25.83 18.23 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.461 2.107 . . . . 0.0 112.004 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.2 p -84.62 -31.94 23.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' SER . . . . . . . . . . . . . 13.2 t -66.37 -43.25 86.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.783 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.5 -32.9 5.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.326 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.47 -42.9 83.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.945 0.402 . . . . 0.0 111.01 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mt -62.53 -37.62 79.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.004 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -78.85 -31.68 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.423 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 6.5 tt0 -60.47 -48.78 80.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.78 -23.52 60.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.84 -47.33 63.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' B' ' 106' ' ' LYS . 1.4 p90 -69.01 -46.57 67.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.879 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . 0.453 ' N ' ' CD1' ' B' ' 105' ' ' TYR . 4.7 tttp -60.26 -35.48 75.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.793 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -66.79 -50.13 63.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.57 -25.68 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.235 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 77.5 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.0 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.808 0.337 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -50.1 69.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mt -80.18 -41.34 25.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.026 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.2 p -55.05 -27.79 47.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.319 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -42.98 56.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.028 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -68.8 -30.91 69.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.022 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.1 mt -78.72 -49.7 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.72 -29.56 58.4 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.94 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.9 t -73.55 -38.64 65.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 111.13 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.3 p -79.86 -32.56 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.05 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.4 ' CG1' ' CD1' ' A' ' 28' ' ' LEU . 60.5 t -62.06 -31.5 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.639 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -28.44 35.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.0 t -79.82 -47.03 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.962 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.402 ' CD1' ' HB2' ' A' ' 27' ' ' SER . 2.8 mm? -121.36 67.85 19.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.19 -22.33 72.67 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.39 2.06 . . . . 0.0 111.398 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.6 t -83.96 -40.73 18.13 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.592 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.402 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 5.9 t -60.5 -40.75 92.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.878 0.371 . . . . 0.0 110.544 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' CD1' ' CG1' ' A' ' 21' ' ' VAL . 0.3 OUTLIER -46.19 -36.91 6.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.348 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.02 -50.0 70.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.6 mt -59.07 -50.11 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -60.8 -32.86 72.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -57.21 -50.11 73.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.93 -33.16 65.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -40.74 83.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.368 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -42.01 72.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.412 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.64 -26.31 57.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -58.67 -49.77 76.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.4 42.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.362 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.04 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.885 0.374 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -25.9 43.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.765 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -58.02 -43.71 86.9 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.822 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -35.69 81.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.703 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 38.5 mt -69.65 -33.17 55.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.775 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.77 -42.58 99.52 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.451 HG22 ' N ' ' B' ' 90' ' ' VAL . 14.0 t -64.07 -31.66 72.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.77 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.451 ' N ' HG22 ' B' ' 89' ' ' THR . 23.6 t -80.19 -46.6 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.042 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.46 -29.5 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -55.78 -31.41 62.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.749 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 43.1 t -79.96 -35.42 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.024 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.424 ' HB3' ' HB3' ' B' ' 97' ' ' SER . 1.0 OUTLIER -136.53 65.07 54.22 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.198 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.47 -28.35 38.74 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.573 2.182 . . . . 0.0 111.747 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 9.8 p -78.69 -38.48 39.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' SER . . . . . 0.424 ' HB3' ' HB3' ' B' ' 94' ' ' LEU . 39.9 t -66.21 -31.08 71.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.749 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.97 -31.63 68.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.03 -30.68 70.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.78 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 46.5 mt -69.23 -47.49 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -66.95 -27.34 67.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.444 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 43.3 tt0 -56.62 -49.84 73.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.726 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -72.03 -21.82 61.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.783 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 2.3 tt -71.12 -50.03 37.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.7 p90 -64.22 -37.12 86.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.777 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -62.21 -31.99 72.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -59.97 -48.42 81.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.87 -29.06 63.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.932 179.9 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.793 0.33 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t -58.76 -41.7 87.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.24 -36.51 58.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.2 t -57.17 -32.82 66.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -35.77 80.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.1 -32.28 39.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.019 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.7 mt -76.0 -49.17 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.052 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.48 -28.95 52.48 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.695 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -79.98 -33.18 39.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.3 t -80.03 -36.76 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.002 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.401 ' CG1' HD23 ' A' ' 28' ' ' LEU . 47.3 t -54.5 -34.96 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -29.89 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.61 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -80.15 -31.3 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.251 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 4.2 mt -147.58 69.41 11.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 111.657 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -61.86 -19.24 64.96 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.311 2.007 . . . . 0.0 111.085 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -89.98 -43.63 10.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.027 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.433 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 5.4 t -55.35 -42.44 73.85 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-O 120.864 0.364 . . . . 0.0 110.592 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.401 HD23 ' CG1' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -59.71 -31.69 69.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.679 179.735 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.39 -47.41 79.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 mt -57.17 -48.68 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 38.5 m-85 -62.68 -28.03 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -58.74 -44.55 90.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -80.18 -24.21 40.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.032 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.09 -50.14 10.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.156 -179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -35.07 71.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.753 0.311 . . . . 0.0 110.711 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -29.98 39.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -69.26 -50.09 50.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.16 -25.3 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.377 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.918 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.869 0.366 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 28.3 p -53.97 -27.66 32.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -58.56 -43.72 89.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.13 -34.45 43.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.805 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 54.8 mt -66.34 -50.27 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.803 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.68 -26.35 57.22 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.263 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.89 -35.59 37.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.961 0.41 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.16 -29.31 12.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.381 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 59.9 t -55.07 -31.22 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.155 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -54.54 -36.66 64.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.759 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 40.9 t -80.03 -46.28 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.984 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' B' ' 97' ' ' SER . 5.9 mp -125.58 74.13 69.21 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.24 -29.19 14.51 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.538 2.159 . . . . 0.0 111.952 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.7 m -84.22 -34.33 23.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.773 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' B' ' 94' ' ' LEU . 1.7 t -60.19 -43.43 95.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.798 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -28.98 67.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.48 -47.86 82.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.025 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.71 -50.03 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.236 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 33.1 m-85 -59.8 -32.89 71.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 87.3 mt-10 -63.91 -39.62 94.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.687 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.13 -24.41 40.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.26 -50.05 62.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.442 ' CZ ' ' CG ' ' B' ' 106' ' ' LYS . 0.8 OUTLIER -62.97 -34.66 77.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.743 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . 0.442 ' CG ' ' CZ ' ' B' ' 105' ' ' TYR . 7.3 mtpm? -76.78 -32.64 57.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.628 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -73.66 -47.28 41.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.634 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.99 -13.11 61.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.429 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.332 -0.187 0 CA-C-O 120.766 0.317 . . . . 0.0 110.887 -179.924 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.99 85.57 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.5 mmt -134.15 141.89 47.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -53.27 7.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.89 80.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -134.92 146.02 48.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -177.63 -40.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.763 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.486 ' CE1' ' CE2' ' A' ' 35' ' ' TYR . 19.1 t80 -60.17 -36.27 77.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.734 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mp -71.03 -21.16 62.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.83 29.33 2.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.806 0.336 . . . . 0.0 110.992 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -132.23 30.37 4.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -167.51 163.0 9.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.794 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -48.7 154.89 2.69 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.676 2.25 . . . . 0.0 112.514 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -31.31 72.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.9 m -58.77 -40.32 83.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.0 -45.0 19.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.7 p -58.39 -25.54 62.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.099 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -50.05 16.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.018 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -29.06 68.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.078 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.5 mt -80.02 -48.91 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.065 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.15 -26.57 58.84 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.93 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 20' ' ' VAL . 9.9 t -78.59 -39.35 37.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.837 0.351 . . . . 0.0 111.177 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.411 ' N ' HG23 ' A' ' 19' ' ' THR . 11.5 p -80.13 -36.75 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.4 -35.57 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.05 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.89 -32.95 15.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.7 t -80.19 -44.11 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.408 ' CD2' ' CD2' ' B' ' 94' ' ' LEU . 3.6 mm? -123.11 74.96 50.02 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.32 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.86 -10.39 28.36 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.524 2.149 . . . . 0.0 111.893 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -102.27 -32.25 10.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 t -67.25 -48.95 66.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.828 0.347 . . . . 0.0 110.715 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -57.96 -19.66 32.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.241 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.421 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 4.3 tm-20 -69.38 -41.68 76.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 110.668 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -66.53 -47.49 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.49 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 20.3 m-85 -62.9 -29.94 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 15.8 tt0 -58.78 -39.7 81.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.604 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.1 -24.9 40.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.753 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.28 -50.02 61.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.042 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.486 ' CE2' ' CE1' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -63.42 -33.34 75.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.849 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 12.3 mttm -70.15 -32.09 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.774 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -60.07 -49.52 77.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.79 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.08 -29.12 66.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.97 -49.71 76.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -70.56 -28.76 65.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -57.09 -27.3 61.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -31.41 66.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.1 p -134.31 123.45 24.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -133.18 113.81 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -60.91 -179.0 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.34 113.6 27.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.1 m -114.51 -62.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.0 75.31 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.8 m170 62.07 122.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.004 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -93.05 118.73 31.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.77 137.56 41.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.973 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.3 OUTLIER 177.35 -58.11 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.004 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 40.1 Cg_endo -66.65 104.36 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.25 1.967 . . . . 0.0 112.312 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.93 148.56 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mp -129.78 139.94 50.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -64.07 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.5 144.94 25.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.29 171.43 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -148.13 -47.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -152.87 -174.72 5.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.09 39.13 1.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mp 60.19 -175.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.14 115.26 5.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -159.49 94.23 1.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -102.86 -54.63 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -134.22 -176.77 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.251 -0.88 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.093 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 5.8 m170 61.67 114.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.793 0.33 . . . . 0.0 111.031 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 26.2 mtt -88.42 152.63 21.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 11.4 mtt -82.46 89.35 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.3 m 60.84 156.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -148.3 157.46 43.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.91 149.78 48.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 29.1 t80 56.67 28.03 13.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.988 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.81 -45.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.86 -36.63 49.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.48 -66.15 0.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.496 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 1.7 pp -51.42 171.49 0.18 Allowed Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.713 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 81.7 Cg_exo -46.26 93.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.352 2.034 . . . . 0.0 112.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -54.09 -25.45 21.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.316 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -44.51 80.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 13.3 mt -80.03 -41.62 25.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.8 m -49.94 -28.14 6.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.317 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -59.14 -44.5 92.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.05 -29.9 39.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.018 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 64.7 mt -63.21 -50.15 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.863 0.363 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -49.3 -48.3 33.5 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.957 -0.639 . . . . 0.0 113.08 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.435 HG23 ' N ' ' B' ' 90' ' ' VAL . 14.2 t -62.24 -32.47 73.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.687 0.28 . . . . 0.0 111.081 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.435 ' N ' HG23 ' B' ' 89' ' ' THR . 25.6 t -80.39 -40.09 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.73 -31.9 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.389 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.63 -35.69 68.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.026 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.16 -46.46 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.449 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.408 ' CD2' ' CD2' ' A' ' 24' ' ' LEU . 4.2 mm? -115.67 75.65 5.27 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.529 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.73 -19.68 20.92 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.483 2.122 . . . . 0.0 111.842 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 75.1 p -93.95 -37.4 11.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.958 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' SER . . . . . . . . . . . . . 2.7 t -56.92 -50.01 73.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.657 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.426 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -51.82 -33.8 37.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -31.47 69.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 42.7 mt -72.68 -50.13 36.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.49 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 47.9 m-85 -62.43 -30.11 71.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.432 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 6.9 tt0 -60.63 -42.29 96.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.541 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.05 -23.27 52.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.622 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.53 -50.14 47.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.5 p90 -62.59 -35.17 78.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.759 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . 0.4 ' HD3' ' CE1' ' B' ' 105' ' ' TYR . 0.2 OUTLIER -72.7 -31.85 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.762 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -66.85 -50.12 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.809 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.05 -31.04 68.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.19 -49.96 75.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -65.18 -24.0 67.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.966 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -62.77 -16.73 59.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.31 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -47.64 -28.74 2.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 3.1 m -92.13 161.7 14.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.811 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -133.97 170.72 15.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -90.77 61.72 4.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -167.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.025 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 10.5 t 61.98 114.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -112.58 -54.09 2.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -98.48 28.99 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 63.63 16.11 9.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.326 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.3 131.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.871 0.367 . . . . 0.0 111.064 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . 0.421 ' CB ' ' CD ' ' B' ' 123' ' ' PRO . 0.1 OUTLIER -177.81 -61.84 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.807 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' B' ' 122' ' ' LYS . 73.1 Cg_endo -75.81 149.16 33.14 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.586 2.191 . . . . 0.0 112.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.23 80.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.847 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.65 141.33 45.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.07 -48.93 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.33 30.58 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.86 97.68 5.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 24.6 m -116.61 102.1 9.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.56 127.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 mp -142.42 31.4 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.92 166.56 16.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.03 -53.74 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 5.5 t -60.78 -45.31 94.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.12 133.16 53.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -156.27 -68.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.785 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 25.9 mt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.12 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -127.47 155.22 44.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.8 mmm -151.9 31.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttt -142.75 93.14 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 p -132.3 37.16 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.1 mttt 60.88 157.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 mt -146.04 32.1 1.02 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.429 ' CD2' HD12 ' A' ' 28' ' ' LEU . 33.6 t80 -114.03 -37.76 4.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -99.04 28.1 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -124.38 -42.52 2.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.796 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.03 -56.84 10.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 pp -60.52 160.49 18.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -50.39 157.18 3.4 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.524 2.149 . . . . 0.0 112.349 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.58 -33.87 64.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 m -59.95 -50.0 75.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.09 -30.88 67.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.35 -25.61 49.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -43.24 66.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.67 -33.28 58.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.983 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.8 mt -77.29 -33.26 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.979 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.77 -31.66 73.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.823 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -70.97 -38.09 72.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.733 0.301 . . . . 0.0 111.012 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.4 p -80.36 -44.97 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.238 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.94 -34.82 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.212 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -51.99 -29.29 20.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.811 0.338 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.1 t -80.04 -42.51 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.065 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 27' ' ' SER . 4.0 mm? -119.47 75.7 17.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.19 -7.11 20.39 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.556 2.171 . . . . 0.0 112.085 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.65 -27.46 9.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.071 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.437 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 3.8 t -70.62 -49.51 46.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.633 0.254 . . . . 0.0 111.138 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.429 HD12 ' CD2' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -46.1 -29.52 1.55 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 -179.693 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -59.06 -47.71 84.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mt -59.81 -35.34 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.772 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -72.28 -31.87 66.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.03 -31.8 70.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.517 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.68 -50.15 53.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.527 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.403 HD13 ' N ' ' A' ' 35' ' ' TYR . 4.1 pp -72.74 -26.76 61.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.503 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.403 ' N ' HD13 ' A' ' 34' ' ' LEU . 1.3 t80 -70.48 -46.56 63.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.463 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -80.08 -36.67 35.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -59.87 -50.13 74.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.6 -28.98 66.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.228 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 22.5 mt -77.4 -32.16 54.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -65.1 -30.92 71.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -58.92 -26.96 64.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -56.87 -30.97 64.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 t -121.38 142.48 49.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -138.67 31.87 2.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -91.75 136.82 32.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -89.32 -38.54 14.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 p -111.91 93.25 4.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -124.37 -44.42 2.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -149.11 103.66 3.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -146.09 108.2 4.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.817 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -141.44 28.69 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.65 154.69 21.47 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.797 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.99 135.97 31.25 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.599 2.199 . . . . 0.0 112.342 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -128.18 104.52 7.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.06 120.13 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -112.97 -56.79 2.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.8 t0 63.86 136.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.12 -55.78 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.989 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 m -155.42 -49.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -156.06 -46.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.2 tp -176.73 38.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.95 167.93 12.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.999 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -121.09 161.84 21.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -154.47 -46.24 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -82.89 167.95 17.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.5 -178.28 3.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.7 mt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.102 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -90.43 98.07 11.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 2.3 mtt 60.87 92.26 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.44 117.82 33.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -100.18 110.25 22.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.79 117.37 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 23.9 mt -138.77 35.55 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.417 ' CE2' HD11 ' B' ' 76' ' ' LEU . 28.0 p90 -140.93 -48.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' B' ' 75' ' ' PHE . 0.4 OUTLIER -72.04 -16.11 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.09 28.73 3.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.091 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -142.04 -49.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.453 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 0.3 OUTLIER -51.71 164.33 0.54 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.544 179.681 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 93.3 Cg_exo -42.43 94.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.458 2.105 . . . . 0.0 112.418 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -46.71 -29.57 1.96 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.359 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 5.0 t -61.89 -45.26 94.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.65 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.94 -33.03 40.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.815 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 35.2 t -47.7 -29.02 2.72 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.282 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -57.3 -43.8 83.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -15.52 56.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.311 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 31.7 mt -79.81 -49.95 18.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.88 0.371 . . . . 0.0 111.352 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.08 -25.32 38.5 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.958 -0.639 . . . . 0.0 113.018 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 5.8 t -80.09 -39.8 28.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.705 0.288 . . . . 0.0 111.309 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 13.8 p -80.17 -38.37 18.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.383 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 47.6 t -55.95 -29.67 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -34.86 62.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.675 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 45.9 t -80.03 -45.0 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.909 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.408 ' CD2' ' HB3' ' B' ' 97' ' ' SER . 3.0 mp -116.34 70.43 4.3 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.01 -3.54 13.98 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.597 2.198 . . . . 0.0 112.479 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.15 -33.9 6.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 0.0 111.024 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' SER . . . . . 0.408 ' HB3' ' CD2' ' B' ' 94' ' ' LEU . 8.6 t -68.94 -37.96 79.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.424 ' N ' HD11 ' B' ' 98' ' ' LEU . 0.0 OUTLIER -59.03 -19.24 41.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.422 ' N ' ' CD1' ' B' ' 98' ' ' LEU . 0.7 OUTLIER -71.71 -31.13 66.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.831 0.348 . . . . 0.0 110.847 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 44.8 mt -70.99 -37.03 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.993 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -73.74 -31.47 63.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.44 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 0.6 OUTLIER -60.3 -49.95 75.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.639 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -70.56 -25.79 63.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.514 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -50.06 65.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.44 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.2 p90 -65.72 -29.68 70.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.723 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.3 -33.4 49.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -64.39 -50.18 68.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.776 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.53 -23.36 62.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.319 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 17.5 mt -72.78 -28.89 62.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -72.1 -45.2 61.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.02 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.67 -31.43 71.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -73.0 -31.41 64.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 74.4 m -97.61 131.33 44.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.99 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 62.91 120.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -118.69 -44.91 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 37.4 mtm-85 -138.32 -175.08 3.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.18 137.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -171.87 50.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -106.22 169.5 8.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -130.21 93.44 3.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 27.8 mttt 60.47 172.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -110.87 95.77 25.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -52.07 -176.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.468 2.112 . . . . 0.0 112.244 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.74 160.02 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -168.28 136.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -95.56 -179.71 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.48 -178.96 6.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.07 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 5.0 t -96.79 -59.5 1.79 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 1.2 m -113.83 109.9 19.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -153.11 -174.76 5.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.3 mt 60.29 36.12 20.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.3 mt -117.69 -54.29 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -118.54 -178.41 3.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 4.0 p -148.65 110.53 4.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.53 -34.13 65.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.77 -76.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 18.7 pt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.157 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -92.42 78.82 4.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -134.66 67.52 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 mtt -111.93 150.98 29.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -85.26 161.76 19.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.0 pttp -137.06 31.04 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.59 86.59 4.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -167.95 -43.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 mp -87.25 -29.95 21.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -30.64 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -80.35 -32.64 37.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -78.7 160.38 72.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.83 -166.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.587 2.191 . . . . 0.0 112.238 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -101.81 -32.11 10.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -39.83 81.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.02 -47.02 21.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.4 t -52.08 -26.55 11.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.226 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -70.05 -44.12 69.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -43.13 22.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 56.8 mt -64.71 -30.1 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.5 -46.61 93.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.827 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 20' ' ' VAL . 10.6 t -60.57 -31.56 70.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.825 0.345 . . . . 0.0 111.083 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.413 ' N ' HG22 ' A' ' 19' ' ' THR . 18.9 t -80.33 -45.53 22.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.214 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.84 -31.77 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -31.28 50.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.792 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.3 t -80.12 -49.99 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.001 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 1.6 mp -110.95 74.82 1.01 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.309 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.9 -8.58 19.12 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.48 2.12 . . . . 0.0 112.33 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.2 p -108.73 -37.04 6.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.039 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.421 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 14.9 t -61.99 -34.94 77.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 pp -58.94 -28.82 66.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.846 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -38.64 70.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.949 0.404 . . . . 0.0 110.631 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -72.53 -37.28 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.558 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -72.44 -38.44 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.681 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -61.94 -41.01 97.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.381 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -31.25 58.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.429 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 2.9 tt -60.15 -50.02 75.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.605 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -70.77 -25.34 62.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.939 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -69.48 -50.12 48.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.281 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.41 ' CE2' ' HA ' ' A' ' 34' ' ' LEU . 1.3 p90 -70.46 -30.58 67.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.817 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.89 -30.9 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.019 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.38 -36.3 81.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -60.12 -31.14 69.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.972 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -65.73 -31.6 72.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -66.8 -33.24 75.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.812 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.2 m -100.59 109.27 21.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -162.25 123.28 2.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -87.43 169.05 12.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 140.73 48.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -92.92 179.58 5.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -111.26 -45.65 3.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -151.16 83.45 1.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.89 37.39 4.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -131.0 112.22 12.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.52 141.42 33.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.75 176.42 9.84 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.516 2.144 . . . . 0.0 112.419 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -108.78 120.53 42.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.4 mm -111.74 106.0 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.19 -55.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.98 166.53 11.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 m -130.73 -63.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 p -151.81 134.53 15.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.46 -40.11 6.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.08 179.69 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.3 mp -108.67 113.43 26.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.61 173.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -98.93 31.48 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.991 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -83.87 -56.56 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -128.92 169.42 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.061 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -110.29 149.93 29.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 52.8 mtt -107.17 77.24 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 2.4 mtt 60.18 173.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.8 t -137.56 122.49 18.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.64 -177.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.765 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 mp -141.01 26.47 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.447 ' CE1' ' HG ' ' B' ' 76' ' ' LEU . 27.3 p90 -79.98 -10.45 59.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.173 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.447 ' HG ' ' CE1' ' B' ' 75' ' ' PHE . 1.0 OUTLIER -97.45 27.02 4.49 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.719 0.295 . . . . 0.0 110.975 179.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.27 -47.6 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.738 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -68.02 -59.29 3.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.799 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.474 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 2.7 pp -54.07 168.66 0.42 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.449 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 89.8 Cg_exo -44.96 93.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.339 2.026 . . . . 0.0 112.406 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.09 -25.77 9.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.247 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 48.1 t -64.5 -36.93 85.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.699 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 71.7 mt -80.11 -36.93 34.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.989 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.4 p -55.95 -28.81 58.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.007 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -37.26 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -80.09 -30.8 39.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 41.7 mt -70.49 -37.37 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.92 -48.03 87.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.798 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.403 HG23 ' N ' ' B' ' 90' ' ' VAL . 11.8 t -59.87 -31.76 70.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.657 0.265 . . . . 0.0 111.12 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.403 ' N ' HG23 ' B' ' 89' ' ' THR . 38.5 t -80.08 -43.85 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.022 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 49.5 t -58.58 -31.06 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -52.8 -32.05 41.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.058 0.456 . . . . 0.0 110.709 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 49.0 t -80.1 -37.6 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.041 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' B' ' 97' ' ' SER . 4.0 mm? -123.71 71.63 50.14 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.32 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.94 -15.27 43.31 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.411 2.074 . . . . 0.0 111.832 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.6 p -96.21 -38.42 10.14 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' SER . . . . . 0.401 ' HB3' ' HB3' ' B' ' 94' ' ' LEU . 4.4 t -59.06 -46.73 87.53 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.919 0.39 . . . . 0.0 110.8 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.19 -39.53 6.32 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.428 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -54.6 -48.09 72.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.065 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 mp -63.87 -36.39 76.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -73.11 -29.4 62.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.969 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 3.5 mt-10 -57.42 -41.99 81.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -79.02 -25.96 43.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 tt -66.5 -49.93 64.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.9 OUTLIER -68.3 -32.16 72.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.41 -31.3 63.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -58.52 -49.34 77.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.84 70.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 97.5 mt -74.06 -42.53 60.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -57.23 -24.66 56.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -61.57 -18.06 57.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.356 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -50.34 -26.83 5.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.736 0.303 . . . . 0.0 111.38 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 3.3 p -142.2 -72.41 0.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 63.01 18.73 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.243 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 53.3 179.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.52 143.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 82.1 p -146.7 20.69 1.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 61.44 -81.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.032 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.37 139.41 21.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.785 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.93 -64.49 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.05 163.36 33.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -162.11 79.34 1.96 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -51.85 173.24 0.11 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.587 2.191 . . . . 0.0 112.41 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.0 102.37 3.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 15.8 mt 50.76 79.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -163.62 31.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.57 -172.76 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 69.1 p -113.42 170.88 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.09 143.55 28.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -129.97 147.89 51.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.4 mp -82.48 -31.99 29.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.5 mt -111.1 175.39 5.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -155.88 -45.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 2.7 p -97.54 93.51 6.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -124.93 145.94 49.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -126.5 32.49 5.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.226 -0.893 . . . . 0.0 111.079 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.65 121.56 12.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.3 mtt -118.08 -40.94 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -101.9 79.28 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 t -173.97 119.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -139.22 51.05 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.99 93.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -167.31 -57.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 mp -71.81 -27.05 62.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.18 -44.92 84.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.038 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.06 -66.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.86 157.99 5.01 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.86 151.95 14.55 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.649 2.233 . . . . 0.0 112.276 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -30.53 65.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.8 p -57.67 -47.31 82.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.055 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.98 -35.12 37.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.9 t -53.02 -27.33 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.256 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -44.62 90.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.179 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -79.96 -42.63 23.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 68.5 mt -59.61 -47.13 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.076 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.27 -26.19 69.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.664 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.02 -29.04 39.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.744 0.307 . . . . 0.0 111.319 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.1 t -80.06 -30.1 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.588 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.405 ' CG2' ' CD1' ' A' ' 28' ' ' LEU . 22.0 t -53.46 -33.35 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.231 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -56.29 -28.16 57.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.6 t -79.99 -30.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.45 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 2.8 mt -145.49 69.53 13.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.187 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.05 -8.9 24.58 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.304 2.003 . . . . 0.0 111.724 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.49 -35.28 9.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.45 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 41.6 t -67.64 -41.35 84.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.861 0.362 . . . . 0.0 110.815 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' CD1' ' CG2' ' A' ' 21' ' ' VAL . 0.3 OUTLIER -52.88 -28.72 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -60.25 -29.16 68.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.4 mt -79.48 -44.8 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.209 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 16.6 m-85 -64.78 -45.13 87.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.057 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.443 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 22.4 pt-20 -58.52 -41.65 85.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -76.67 -25.7 54.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.012 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 tt -68.23 -50.03 56.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.2 p90 -66.67 -41.53 87.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -61.56 -36.22 80.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -66.91 -50.03 63.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.8 -23.71 66.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.386 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.5 mt -76.27 -29.61 57.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -73.04 -36.14 66.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.156 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -26.45 68.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -57.21 -30.78 64.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 m -69.26 175.56 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -90.35 148.35 22.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -135.89 117.99 15.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -152.23 -177.69 6.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.8 p 52.3 77.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.03 -40.89 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.805 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -153.97 -175.15 5.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -67.6 -171.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.71 114.4 26.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.98 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.69 112.28 12.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.761 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -51.35 144.96 29.32 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.453 2.102 . . . . 0.0 112.293 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -93.09 66.52 4.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 tp -155.8 116.81 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -90.57 -32.9 16.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.37 143.89 30.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.7 -167.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.75 -61.95 0.46 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 75.88 -66.03 0.29 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.816 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.2 mt 68.5 -67.06 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.99 154.07 40.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.843 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.83 -177.99 3.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 t -152.27 131.46 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -122.78 -43.78 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.35 158.1 18.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.817 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.113 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 60.6 80.21 0.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 8.7 mtm -158.76 31.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.32 101.2 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.6 p -173.61 169.57 4.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.64 85.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 16.2 mt -145.4 28.51 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -134.52 25.19 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 36.6 mt -133.54 12.43 4.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.261 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.71 -41.38 2.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.779 0.323 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -69.78 -60.95 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.419 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 0.3 OUTLIER -49.72 163.61 0.39 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.827 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 90.9 Cg_exo -44.28 93.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.552 2.168 . . . . 0.0 112.419 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.92 -23.98 21.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.236 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 3.0 m -57.29 -41.49 79.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mp -80.02 -30.87 39.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.45 -28.44 5.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -45.3 93.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -80.04 -30.24 39.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.26 -44.7 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.18 -45.07 57.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.818 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.419 HG21 ' N ' ' B' ' 90' ' ' VAL . 14.6 t -64.45 -30.94 71.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.419 ' N ' HG21 ' B' ' 89' ' ' THR . 24.9 t -80.22 -38.41 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.228 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 20.2 t -55.21 -38.83 48.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.348 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -27.63 10.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 17.8 t -80.0 -49.94 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.3 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.41 ' HB3' ' HB3' ' B' ' 97' ' ' SER . 4.2 mm? -120.56 72.97 21.71 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.6 -10.58 28.19 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.439 2.093 . . . . 0.0 112.237 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.7 p -104.16 -31.45 9.62 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.07 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' B' ' 94' ' ' LEU . 4.0 t -67.3 -43.5 81.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.414 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -53.68 -27.31 26.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.204 -179.766 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.09 -35.72 73.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.776 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 34.5 mt -80.08 -33.93 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 25.1 m-85 -75.56 -42.86 51.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.423 ' O ' ' CE2' ' B' ' 105' ' ' TYR . 12.3 pt-20 -55.95 -41.48 74.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.766 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -78.67 -17.6 55.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.4 tt -75.7 -50.15 16.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.423 ' CE2' ' O ' ' B' ' 102' ' ' GLU . 2.2 p90 -61.32 -39.39 90.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.894 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . 0.411 ' N ' ' CD1' ' B' ' 105' ' ' TYR . 0.8 OUTLIER -68.69 -31.4 70.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.787 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -60.41 -50.04 75.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.18 63.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -36.85 77.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -73.25 -31.2 63.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.19 -36.15 81.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.0 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -80.05 -34.79 37.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 12.8 t -77.51 -67.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.95 -175.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.86 28.78 18.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.85 98.26 9.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.86 106.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.772 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -77.81 -4.44 46.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.442 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 63.99 33.91 11.89 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -87.49 -30.68 20.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.46 -176.24 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . 0.473 ' CB ' ' HD3' ' B' ' 123' ' ' PRO . 4.4 tptt -156.32 -58.38 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' B' ' 122' ' ' LYS . 51.7 Cg_exo -54.96 156.93 14.23 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.188 1.925 . . . . 0.0 112.139 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -89.02 102.1 14.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 8.9 tp -106.31 153.33 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.993 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -161.06 -41.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 74.48 104.72 0.07 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 80.5 p -147.44 -175.09 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 84.7 p -149.52 84.37 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -126.7 114.11 17.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.85 -169.08 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 3.2 tp -63.5 -177.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -113.82 172.94 6.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.11 84.6 2.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -134.39 -46.96 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -128.88 143.9 51.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.318 -0.848 . . . . 0.0 111.029 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -128.31 38.92 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.2 ptp -132.95 147.41 52.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtm -153.45 156.78 38.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.32 83.92 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -124.0 77.67 1.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.09 27.0 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -121.67 -40.53 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.96 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.05 -33.65 73.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.64 -29.19 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -96.99 37.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.9 mt -136.85 151.25 72.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.2 162.99 1.74 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.477 2.118 . . . . 0.0 112.279 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -84.2 -31.49 25.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -49.1 78.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.35 -44.08 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.6 m -50.09 -27.39 5.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.274 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.1 mtp85 -69.44 -48.21 61.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -73.69 -40.04 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.7 mt -64.65 -50.18 76.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.798 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.72 -25.97 56.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.425 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -34.67 37.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.675 0.274 . . . . 0.0 111.124 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.3 t -80.04 -32.2 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.59 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.419 HG22 ' CD1' ' A' ' 28' ' ' LEU . 42.3 t -50.14 -39.05 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.813 0.34 . . . . 0.0 111.265 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.57 -28.36 8.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.9 t -80.1 -32.87 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 3.6 mt -144.32 70.85 16.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.408 . . . . 0.0 111.444 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.83 -12.65 35.04 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.257 1.972 . . . . 0.0 111.488 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 p -96.81 -40.55 8.88 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.033 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 13.3 t -59.93 -42.39 93.88 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.808 0.337 . . . . 0.0 110.705 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.419 ' CD1' HG22 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -54.07 -34.46 60.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.16 -27.01 65.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 mt -73.28 -50.11 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.205 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -59.97 -34.3 73.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -57.2 -50.16 73.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.824 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -41.73 95.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.665 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mt -65.77 -46.86 77.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.578 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -35.33 79.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.677 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -79.95 -32.62 39.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.837 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -66.62 -49.16 67.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.48 -21.08 35.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.541 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.1 mt -73.65 -28.91 62.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -79.93 -41.6 25.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.934 0.397 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -27.8 63.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.69 -32.44 70.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.5 p -129.39 -177.32 4.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.988 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -142.83 114.94 8.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -139.87 31.58 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.36 106.5 10.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.81 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.92 89.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.66 165.09 11.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.816 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -82.13 158.14 23.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.56 41.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.91 152.96 24.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -140.61 142.32 28.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.99 109.78 2.99 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.542 2.161 . . . . 0.0 112.283 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.87 121.89 46.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mp -109.93 -46.99 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 61.06 115.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.9 -32.44 34.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -131.49 96.95 4.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.38 141.51 29.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.04 139.92 50.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 tt -107.36 -27.99 10.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 mt 63.86 145.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.729 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.77 -66.96 0.22 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.9 t 45.45 -168.06 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.404 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.86 170.18 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 60.14 60.76 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.152 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -68.99 105.45 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 60.27 171.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 3.4 ttm -120.95 130.01 53.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.5 m -78.26 176.8 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -102.41 -177.99 3.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 mt -179.79 -35.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -82.62 3.35 29.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.573 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 82.6 mt -98.78 -28.34 13.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.802 0.334 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.51 -40.51 70.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.081 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.86 -68.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.479 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 2.0 pp -51.86 171.4 0.19 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.512 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 86.3 Cg_exo -47.08 91.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.316 2.011 . . . . 0.0 112.354 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -51.97 -27.31 12.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.254 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -40.77 89.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.687 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.07 -36.48 35.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.801 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 31.3 m -51.03 -27.26 7.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.268 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -58.97 -41.99 88.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -30.2 38.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 32.1 mt -69.28 -37.16 75.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.019 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.27 -42.05 95.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.728 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 13.3 t -66.31 -28.75 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.761 0.315 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.06 -35.11 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.258 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.31 -32.43 44.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -56.76 -30.34 63.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.109 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 20.6 t -79.99 -38.23 18.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.305 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 6.6 mp -134.3 70.35 73.18 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.26 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.45 -23.96 27.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.494 2.129 . . . . 0.0 111.959 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.8 m -86.91 -31.77 20.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.823 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' SER . . . . . . . . . . . . . 3.8 t -66.08 -46.79 76.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.749 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.97 -30.0 9.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.307 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.69 -48.02 78.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.68 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mp -63.69 -39.79 86.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.415 ' CZ ' ' HG ' ' A' ' 28' ' ' LEU . 30.3 m-85 -72.64 -28.38 62.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.933 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -54.69 -44.0 73.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 0.0 110.741 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -23.4 41.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.733 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.31 -50.27 41.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.107 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.38 -31.84 71.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.703 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -80.09 -31.98 39.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.671 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -60.63 -50.06 75.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.746 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.37 -21.35 49.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.268 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.54 -26.93 45.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.013 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.98 -33.41 39.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.127 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -20.79 56.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.278 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -31.66 19.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.823 0.344 . . . . 0.0 111.223 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 39.7 t -160.85 88.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -70.14 -31.23 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -69.03 123.41 20.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -86.79 -34.05 19.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 1.4 m -165.68 32.67 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -59.87 118.01 5.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.42 83.46 2.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.14 30.54 5.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -167.61 90.66 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -161.4 100.24 1.23 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.14 141.63 53.17 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.464 2.109 . . . . 0.0 112.264 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.42 76.61 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 5.4 tp -147.46 140.32 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -142.29 135.99 29.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.63 -172.97 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.4 m -76.69 95.76 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.06 103.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.8 42.03 13.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 mt 61.59 -177.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 61.01 83.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.02 82.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 55.6 p -141.77 135.82 30.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -111.5 129.12 56.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 60.4 -176.12 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 22.8 mt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.066 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.592 -0.203 . . . . 0.0 112.592 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . 0.409 ' CE1' ' HG3' ' A' ' 1' ' ' MET . 7.6 p80 -110.42 162.85 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.7 mtt -108.07 124.02 49.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.409 ' HG3' ' CE1' ' A' ' -1' ' ' HIS . 1.1 mtp -126.98 57.36 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.3 p -159.38 84.58 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 37.56 2.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.99 -31.17 69.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -92.19 -13.94 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.77 20.1 7.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.758 0.313 . . . . 0.0 111.225 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -117.02 -23.02 8.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.203 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -96.51 37.48 1.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.773 0.321 . . . . 0.0 111.04 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -149.45 160.26 34.8 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -51.17 -177.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.575 2.184 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.45 -27.15 13.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 m -77.78 -33.34 52.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -30.27 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.97 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -28.15 40.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.164 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -74.15 -35.81 64.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -80.01 -29.48 39.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.9 mt -79.95 -48.28 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.35 -25.15 62.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.988 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 t -79.97 -39.49 29.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.721 0.296 . . . . 0.0 111.352 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.3 p -72.14 -31.22 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.203 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.0 t -55.05 -30.92 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.745 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -27.99 62.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.728 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.7 t -78.09 -50.13 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 4.0 mm? -117.18 77.12 9.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.54 -8.24 22.21 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.564 2.176 . . . . 0.0 112.283 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -110.12 -31.76 7.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.017 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.414 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 1.7 t -64.86 -48.26 74.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.46 -29.22 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.218 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -33.22 68.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.724 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.9 mt -80.24 -40.61 20.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.424 ' CZ ' HD13 ' B' ' 98' ' ' LEU . 12.2 m-85 -69.4 -45.92 68.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.066 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.417 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -55.31 -38.68 69.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.786 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -80.03 -23.07 41.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.732 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tt -70.02 -50.07 45.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.417 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 1.6 p90 -66.81 -31.0 71.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.957 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -31.52 67.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -59.65 -50.08 75.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.65 -19.42 65.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.335 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.97 -29.51 43.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -78.04 -41.25 36.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -26.81 65.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -30.67 65.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.64 -176.24 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 60.35 175.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.39 -78.0 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -171.86 57.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.123 0.487 . . . . 0.0 110.812 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.3 t 59.38 -171.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -138.17 -59.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -101.77 165.23 11.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.782 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -128.53 88.36 2.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.78 75.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.787 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -126.7 94.0 41.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.31 87.03 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.428 2.086 . . . . 0.0 112.368 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -145.58 169.25 18.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.5 mp -136.11 105.42 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.75 97.92 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.32 55.56 3.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -141.26 93.81 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -93.25 82.97 4.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.825 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -153.25 154.16 34.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.01 -59.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.15 -178.62 3.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -123.69 151.99 42.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.4 p -88.98 53.3 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -111.49 84.24 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -80.56 178.1 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.6 tt . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.464 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -127.51 -72.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.335 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -91.49 78.53 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.11 -46.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.91 34.09 3.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -123.74 111.0 15.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.73 -41.99 2.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.99 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' B' ' 75' ' ' PHE . 34.9 p90 -70.86 64.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.95 -39.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -89.0 -30.84 18.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -88.73 -64.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.962 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.43 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 1.4 pp -46.74 162.45 0.26 Allowed Pre-proline 0 N--CA 1.462 0.165 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.812 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 90.9 Cg_exo -42.79 93.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.592 2.195 . . . . 0.0 112.465 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -51.32 -26.83 8.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.356 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 7.6 p -59.67 -37.5 78.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.906 0.384 . . . . 0.0 110.707 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 61.2 mt -80.05 -27.28 39.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.789 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -54.82 -36.24 64.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.998 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -39.37 81.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.689 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.99 -45.47 18.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.591 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . 0.456 ' HA ' HG13 ' B' ' 90' ' ' VAL . 34.4 mt -63.58 -33.4 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.707 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.44 -28.37 62.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.095 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.45 HG23 ' N ' ' B' ' 90' ' ' VAL . 9.7 t -80.07 -34.58 37.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.822 0.311 . . . . 0.0 111.471 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.456 HG13 ' HA ' ' B' ' 87' ' ' ILE . 15.0 p -80.4 -36.28 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.752 0.31 . . . . 0.0 111.171 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' B' ' 87' ' ' ILE . 61.2 t -57.81 -26.09 27.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.31 -43.37 83.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.987 0.422 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 47.3 t -80.25 -27.27 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.578 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.424 ' HG ' ' HB3' ' B' ' 97' ' ' SER . 12.6 tp -129.49 55.54 19.02 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.249 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -82.47 -2.66 11.15 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.696 2.264 . . . . 0.0 112.543 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 13.3 t -103.26 -36.86 7.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.242 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' SER . . . . . 0.424 ' HB3' ' HG ' ' B' ' 94' ' ' LEU . 3.6 t -66.71 -46.73 74.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.797 0.332 . . . . 0.0 111.019 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.424 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -45.57 -29.66 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.465 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -57.64 -36.87 72.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.373 . . . . 0.0 110.787 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.68 -33.82 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -73.96 -30.7 62.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.44 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -59.82 -49.41 77.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.572 179.831 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -19.47 61.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.91 -50.04 26.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.043 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.447 ' CE1' ' CG ' ' B' ' 106' ' ' LYS . 1.7 p90 -62.11 -28.54 69.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.914 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . 0.447 ' CG ' ' CE1' ' B' ' 105' ' ' TYR . 6.8 mtpm? -77.3 -32.27 55.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.823 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -67.47 -50.11 60.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.01 -29.9 69.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.061 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -31.66 72.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -77.16 -32.38 56.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.16 -32.41 73.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.09 -33.31 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 18.3 m -108.74 83.73 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -98.72 33.33 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -174.05 84.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -78.1 71.59 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 1.5 m -142.82 107.17 4.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.75 166.28 22.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -67.77 115.06 6.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.68 -40.84 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -84.95 55.98 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.967 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . 0.42 ' CB ' ' HD3' ' B' ' 123' ' ' PRO . 4.6 mtpt -85.34 -60.66 0.28 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . 0.42 ' HD3' ' CB ' ' B' ' 122' ' ' LYS . 87.1 Cg_endo -80.91 55.5 5.71 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.526 2.151 . . . . 0.0 112.394 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -70.39 110.41 5.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 2.5 tt -162.98 133.23 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -93.32 -23.26 18.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.98 113.92 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.39 167.09 20.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.804 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 89.9 p -91.49 92.02 8.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -76.34 -179.7 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.93 -39.01 52.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.51 123.81 31.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.09 144.2 44.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 67.6 p -108.53 38.25 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.1 t70 63.55 126.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -67.94 158.65 32.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.128 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -93.73 -62.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.64 172.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mtp -109.15 31.15 5.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 t -100.58 98.74 9.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.426 ' HA ' ' CE1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER 60.94 47.05 7.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.51 82.74 3.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.426 ' CE1' ' HA ' ' A' ' 3' ' ' LYS . 27.8 p90 -179.34 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.785 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.76 -21.41 51.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -96.04 30.76 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.05 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -137.92 33.63 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.7 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -157.47 161.79 28.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.764 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -51.14 -179.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.517 2.145 . . . . 0.0 112.256 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.95 -32.96 13.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.043 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 m -63.13 -43.01 99.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.2 -50.08 20.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.023 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -49.46 -27.38 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.299 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -65.49 -42.34 92.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.061 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -16.88 54.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.504 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.4 mt -80.08 -49.92 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.088 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.84 -26.1 32.17 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.954 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 t -80.03 -39.09 30.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.733 0.267 . . . . 0.0 111.441 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 21' ' ' VAL . 13.6 p -79.87 -30.45 13.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.772 0.32 . . . . 0.0 111.454 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.459 ' N ' HG11 ' A' ' 20' ' ' VAL . 60.0 t -60.18 -33.96 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.757 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -58.27 -26.16 62.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 t -80.02 -34.77 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' CD1' ' CB ' ' A' ' 27' ' ' SER . 1.6 mt -137.22 66.25 52.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 0.0 111.208 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.66 -11.62 31.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.397 2.065 . . . . 0.0 111.834 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -40.9 8.52 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.418 ' CB ' ' CD1' ' A' ' 24' ' ' LEU . 1.8 t -61.41 -37.68 84.35 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.836 0.35 . . . . 0.0 110.645 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.407 ' HG ' ' CZ ' ' B' ' 101' ' ' PHE . 0.2 OUTLIER -54.55 -28.72 47.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -58.81 -38.72 79.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.3 mt -69.27 -49.06 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -63.92 -29.7 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 25.0 tt0 -58.2 -41.63 84.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -79.98 -22.71 42.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.53 -46.85 58.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.185 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.435 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 1.6 p90 -70.51 -31.35 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.008 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 16.4 mtpt -76.26 -30.52 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.64 -50.1 70.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.43 71.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.161 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mt -72.38 -32.98 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -72.8 -24.88 60.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -54.49 -27.19 36.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.155 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.82 -30.66 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 m -71.69 149.44 45.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -95.28 90.45 5.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -155.54 61.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -79.79 66.89 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.46 109.86 5.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -152.95 127.57 9.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -149.38 110.84 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -104.86 134.09 48.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -75.87 111.72 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.964 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.438 ' CB ' ' HD3' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -177.9 -52.89 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.438 ' HD3' ' CB ' ' A' ' 52' ' ' LYS . 21.8 Cg_exo -64.98 72.86 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.585 2.19 . . . . 0.0 112.126 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -106.89 178.47 4.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.0 mt -118.09 132.84 66.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -148.7 -46.93 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -174.35 85.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.4 p -163.14 -46.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -158.08 110.77 2.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.15 -29.81 71.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.5 149.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mp -129.56 79.49 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -109.1 -171.42 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.0 t -97.51 37.68 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.07 40.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.38 144.23 47.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.2 tp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.186 -0.911 . . . . 0.0 111.132 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -147.24 110.11 4.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 4.6 tmm? -150.04 92.62 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.82 -177.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -94.34 151.48 19.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.87 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.03 -174.3 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.791 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.423 ' CE1' HD12 ' B' ' 79' ' ' LEU . 13.0 t80 68.74 -66.72 0.23 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.8 -25.81 68.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -58.22 -35.64 71.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.027 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -93.61 -41.87 9.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.423 HD12 ' CE1' ' B' ' 75' ' ' PHE . 0.5 OUTLIER -52.71 164.84 0.62 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.681 179.783 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -43.83 94.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.804 2.336 . . . . 0.0 112.199 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -47.1 -29.26 2.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.257 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -66.11 -45.17 82.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.11 -40.25 27.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.6 m -50.19 -28.43 7.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -44.17 95.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -80.14 -21.92 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.178 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 35.2 mt -80.02 -43.19 22.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.818 0.342 . . . . 0.0 111.175 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.83 -30.39 69.41 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.918 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 8.9 t -75.65 -38.29 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.664 0.269 . . . . 0.0 111.148 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 11.0 p -79.98 -37.99 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.243 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.24 -33.68 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -27.72 24.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.997 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 40.3 t -79.86 -44.46 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.981 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' B' ' 97' ' ' SER . 4.3 mm? -127.84 72.14 78.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.279 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.42 -16.37 51.01 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.441 2.094 . . . . 0.0 111.901 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -37.84 9.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' SER . . . . . 0.426 ' CB ' ' HB3' ' B' ' 94' ' ' LEU . 1.6 t -61.72 -36.68 81.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.823 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.92 -36.0 80.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.699 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.33 -30.67 60.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.958 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 29.2 mt -70.8 -44.59 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.407 ' CZ ' ' HG ' ' A' ' 28' ' ' LEU . 12.5 m-85 -73.95 -31.73 63.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.433 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 65.2 tt0 -60.25 -43.85 95.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -80.04 -22.58 42.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.64 -49.93 55.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.175 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.5 OUTLIER -61.88 -40.64 96.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.939 -179.75 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -30.53 69.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -70.58 -50.07 41.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.07 -22.9 63.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.347 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.31 -27.9 56.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -73.55 -36.77 65.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.072 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.16 -26.67 68.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.989 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.05 -31.74 69.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 2.3 p -96.37 144.88 26.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -169.96 91.92 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.99 173.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.63 154.67 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.803 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 5.4 m -103.39 113.85 27.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -113.01 31.49 6.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.14 97.28 5.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -126.44 35.84 4.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -94.53 118.98 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -106.3 100.88 31.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -49.54 148.28 11.64 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.526 2.151 . . . . 0.0 112.318 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.55 117.05 28.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 pp -111.54 38.61 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.0 t0 63.0 78.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.91 88.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.4 m -171.54 158.21 5.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 11.6 m -168.1 91.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -165.34 151.76 10.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -70.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.62 96.67 9.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -74.01 133.87 42.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 79.1 p -133.86 107.75 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.81 70.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -107.69 -31.79 7.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 8.1 pt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.146 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -139.2 121.22 15.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.51 76.95 0.79 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.732 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.27 -177.89 3.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -111.08 70.32 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.52 30.49 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.37 -31.18 29.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.728 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.415 ' CE1' HD12 ' A' ' 9' ' ' LEU . 41.5 t80 -60.0 -40.69 90.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp -74.11 -29.78 62.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.69 -26.52 63.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -98.79 33.62 2.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.98 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.415 HD12 ' CE1' ' A' ' 5' ' ' PHE . 96.0 mt -141.7 155.74 66.41 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.5 151.63 75.44 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.54 2.16 . . . . 0.0 112.283 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -31.18 70.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.29 -48.33 82.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.8 mt -80.04 -39.8 29.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 t -50.2 -27.43 5.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -64.28 -48.42 75.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -43.17 22.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.1 mt -59.73 -50.04 81.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.01 -27.52 64.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.62 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.13 -42.52 23.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.812 0.339 . . . . 0.0 111.268 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 p -74.87 -45.03 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.461 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.6 t -53.72 -27.67 15.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.133 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -56.97 -29.96 63.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.617 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.79 -50.1 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.955 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mp -118.01 65.32 5.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.12 -26.56 30.49 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.646 2.23 . . . . 0.0 112.1 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 p -82.88 -37.45 24.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -68.5 -29.53 68.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.801 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.26 -30.34 69.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.614 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.25 -40.4 85.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.813 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.8 mt -65.75 -44.56 93.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.416 ' CD2' ' CE2' ' B' ' 101' ' ' PHE . 32.9 m-85 -64.9 -27.81 69.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -57.25 -48.66 78.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -72.45 -23.83 61.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.637 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -50.12 60.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.427 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -67.17 -32.45 73.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -76.41 -35.08 58.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.76 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.32 -50.1 74.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.72 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.16 -23.3 64.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.245 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 mt -79.99 -30.33 39.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -79.99 -39.56 29.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.012 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.52 -25.8 68.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -55.15 -24.47 26.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 65.11 143.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -158.75 170.61 21.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.738 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -74.39 169.9 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -164.24 32.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -109.62 105.16 14.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.14 172.97 6.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -101.31 126.78 48.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.37 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.66 117.97 35.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -88.1 -52.68 0.38 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 52' ' ' LYS . 54.3 Cg_exo -52.22 -176.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.478 2.119 . . . . 0.0 112.285 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.63 89.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 tt -132.52 145.36 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.2 -68.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.22 135.75 57.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.27 43.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.6 m 61.19 36.65 17.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -86.03 118.29 25.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 mp -102.42 -177.14 3.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.69 156.67 39.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.66 -174.54 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.784 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.6 p -60.07 160.89 7.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -60.35 129.36 41.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.5 -56.34 22.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.055 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -82.37 79.79 8.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -134.02 31.38 3.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.73 -175.21 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.815 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 45.3 m -70.29 68.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -136.68 29.61 2.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -156.84 145.78 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 61.2 t80 56.46 23.44 7.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.062 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 15.5 mt -147.11 -47.59 0.18 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.621 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -34.88 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.763 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -65.77 -70.75 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.611 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.48 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 1.1 pp -53.2 174.02 0.16 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.251 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 86.8 Cg_exo -45.87 92.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.252 1.968 . . . . 0.0 112.205 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.06 -27.33 5.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.388 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.9 p -59.55 -32.75 70.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.59 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -30.9 39.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.882 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 32.1 t -52.58 -26.76 14.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -59.24 -46.51 88.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -35.81 35.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 52.1 mt -68.31 -50.11 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.46 -22.16 58.51 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.477 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.5 -40.11 30.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 11.2 p -80.15 -39.38 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.243 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 56.2 t -57.98 -29.19 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 4.7 mtp-105 -56.05 -30.21 61.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.737 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 58.5 t -80.03 -49.94 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.434 ' HB3' ' HB3' ' B' ' 97' ' ' SER . 1.1 mp -116.19 65.55 2.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.43 -40.77 5.42 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.538 2.159 . . . . 0.0 112.058 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.7 p -68.41 -32.62 72.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.561 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' SER . . . . . 0.434 ' HB3' ' HB3' ' B' ' 94' ' ' LEU . 11.9 t -70.25 -31.47 68.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.769 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.35 -31.77 70.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.398 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -31.66 68.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 43.3 mt -67.77 -49.84 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.025 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.416 ' CE2' ' CD2' ' A' ' 31' ' ' PHE . 12.7 m-85 -64.81 -37.58 88.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.763 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.445 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 2.3 mt-10 -61.16 -49.26 77.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.493 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -28.12 65.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.513 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.79 -50.02 72.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.733 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.445 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.0 OUTLIER -69.41 -20.08 63.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -50.2 74.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.331 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -78.5 -28.17 46.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.064 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.15 -29.37 63.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.185 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 40.0 mt -77.64 -32.93 53.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.024 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -71.11 -36.3 72.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.13 -27.28 39.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -57.21 -32.35 66.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.047 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 1.4 m -110.63 140.99 44.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -135.11 21.03 3.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.301 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 33.6 t70 61.12 116.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -114.97 83.61 1.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.88 28.33 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.01 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 56.89 52.03 9.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.43 81.11 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -131.28 32.91 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 3.1 tttt 60.39 160.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -66.36 121.52 77.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.14 120.63 6.69 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.34 2.026 . . . . 0.0 112.313 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -109.38 -179.37 3.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 18.3 tt -156.46 106.22 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.047 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.07 119.21 38.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -113.16 150.38 32.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.017 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 44.6 m -125.2 -44.48 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.763 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 2.4 t -127.19 139.87 52.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.815 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -98.86 -49.75 4.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 2.9 mt -77.54 146.21 36.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.5 mp -59.45 151.26 24.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.54 41.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.044 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.72 -74.0 0.39 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.98 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.08 87.9 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -131.6 -46.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 1.7 pt . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.059 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.17 -57.72 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.07 -80.1 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 61.28 154.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -82.07 148.08 28.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -121.65 132.12 54.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.58 29.33 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.41 ' CE1' HD11 ' B' ' 104' ' ' LEU . 9.3 t80 -115.9 -39.13 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.66 -29.69 14.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -62.95 -17.85 62.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.01 35.14 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.33 . . . . 0.0 111.023 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.0 mt -148.77 148.69 28.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -51.83 151.18 15.93 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.525 2.15 . . . . 0.0 112.32 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.47 -36.72 76.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -48.38 79.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -48.48 68.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.55 -28.3 8.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -34.7 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -80.11 -32.44 39.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.019 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.401 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 38.0 mt -66.55 -50.32 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.087 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.24 -22.02 57.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.721 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -37.33 34.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.728 0.299 . . . . 0.0 111.102 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 21' ' ' VAL . 12.1 p -80.15 -30.77 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.557 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.46 ' N ' HG11 ' A' ' 20' ' ' VAL . 45.2 t -56.62 -34.98 43.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.166 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -54.25 -28.83 44.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -80.03 -38.15 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.186 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 2.8 mt -137.19 70.59 55.28 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.278 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.3 -7.38 20.85 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.447 2.098 . . . . 0.0 111.893 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 m -104.85 -33.93 8.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.253 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.455 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 9.9 t -70.51 -32.74 70.33 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -34.97 63.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -58.21 -32.89 68.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.5 mt -64.73 -45.79 94.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.808 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.452 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 51.9 m-85 -71.09 -25.91 62.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.434 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -56.42 -40.78 75.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.978 0.418 . . . . 0.0 110.622 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.12 -25.41 39.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.69 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.9 -50.11 65.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -63.15 -37.03 85.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.971 0.415 . . . . 0.0 110.822 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -76.84 -31.09 56.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.766 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -59.87 -50.11 75.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.712 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.56 -31.25 71.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -31.44 72.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -29.07 70.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.955 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -57.34 -31.31 65.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -63.05 -31.28 72.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.3 t -69.14 -49.7 54.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -163.04 -78.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -157.96 -58.14 0.08 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -150.8 171.72 16.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 m -140.14 168.97 18.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -118.96 -175.58 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -135.63 119.93 17.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.48 148.17 37.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -173.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.457 ' CB ' ' CD ' ' A' ' 53' ' ' PRO . 1.2 mtmm -166.13 -64.77 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.041 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 52' ' ' LYS . 45.7 Cg_endo -68.51 121.25 8.17 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.314 2.009 . . . . 0.0 112.285 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -142.53 80.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.0 mp 50.59 96.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -78.79 79.07 5.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -153.06 37.49 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.4 p -132.78 130.71 40.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.6 m -115.32 134.05 55.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -124.5 118.88 27.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.2 mp -98.98 32.68 2.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.771 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.79 -45.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' ASP . 1.4 tttm -58.76 -23.07 59.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.1 p 56.26 -81.16 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.436 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' LYS . 4.7 p-10 47.32 103.17 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 111.601 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 65.04 162.38 0.13 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.873 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.8 mt . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.128 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.401 -0.279 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.25 116.45 29.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 37.5 tpp -109.73 -29.99 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 32.5 mtm 60.37 78.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.808 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.75 127.0 53.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.972 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -144.7 79.61 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.89 -35.16 10.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.423 ' CE1' ' HG ' ' B' ' 76' ' ' LEU . 43.1 p90 -60.39 -30.1 69.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.423 ' HG ' ' CE1' ' B' ' 75' ' ' PHE . 20.3 mt -67.32 -30.36 70.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -77.25 -43.27 34.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -66.68 -67.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.459 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 2.8 pp -50.45 165.31 0.35 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.631 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 93.0 Cg_exo -44.33 92.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.527 2.151 . . . . 0.0 112.474 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -55.89 -30.04 60.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.092 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -37.3 81.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.729 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 38.5 mt -80.08 -27.0 39.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 49.9 m -54.59 -30.76 55.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.018 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -42.68 94.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.06 -39.63 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 20.2 mt -63.7 -32.5 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.73 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.14 -46.62 92.5 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.552 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.431 HG23 ' N ' ' B' ' 90' ' ' VAL . 13.9 t -60.94 -30.22 70.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.822 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.431 ' N ' HG23 ' B' ' 89' ' ' THR . 19.2 t -80.13 -36.14 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.1 -37.58 62.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.11 -26.88 7.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.075 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 27.3 t -80.04 -44.84 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.403 ' HB3' ' CB ' ' B' ' 97' ' ' SER . 4.0 mm? -127.48 70.7 76.55 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.511 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -65.93 -19.12 58.36 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.412 2.075 . . . . 0.0 111.626 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 26.9 m -92.05 -40.53 11.03 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' SER . . . . . 0.403 ' CB ' ' HB3' ' B' ' 94' ' ' LEU . 4.5 t -57.45 -44.16 84.52 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.852 0.358 . . . . 0.0 110.804 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.417 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -52.43 -30.89 31.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.056 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -39.67 84.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.3 mt -70.79 -35.29 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.452 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 18.6 m-85 -76.44 -29.88 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.426 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 36.2 tt0 -58.46 -41.9 86.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.79 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -79.98 -24.32 40.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.41 HD11 ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -67.33 -50.01 61.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 -179.842 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.426 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.6 OUTLIER -63.84 -33.84 76.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.817 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . 0.414 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 0.6 OUTLIER -79.85 -30.27 40.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -57.8 -50.04 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.66 73.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 20.6 mt -80.11 -29.55 38.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -78.7 -38.37 39.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.241 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -58.73 -29.51 66.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -59.17 -33.57 71.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.08 101.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.989 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -126.52 35.67 4.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -99.45 122.81 43.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.022 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -154.66 177.66 10.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 1.1 t -102.84 132.09 49.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -105.46 95.62 5.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -70.05 126.31 29.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -96.57 124.58 40.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.003 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -103.36 -178.51 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.5 142.6 45.33 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -74.23 -175.37 2.17 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.6 2.2 . . . . 0.0 112.341 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -160.24 57.95 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.63 145.55 16.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -102.64 -52.37 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 3.0 t0 60.35 166.18 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.05 -52.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 62.8 p -105.34 -176.61 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -156.01 100.32 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.1 mp -90.2 96.25 10.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.39 131.38 53.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.4 -66.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 3.8 t -164.19 -46.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.29 81.18 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.37 -50.21 74.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.007 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -148.36 79.89 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 6.8 ttp -151.95 80.25 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mmt -116.3 149.94 38.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 p -174.19 104.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -70.44 78.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 tp -90.28 77.01 6.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.424 ' CD1' ' HG3' ' A' ' 32' ' ' GLU . 29.6 t80 -141.24 -45.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp -77.14 -18.36 57.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -101.71 31.03 4.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.077 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.13 31.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.815 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.32 164.02 1.18 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.771 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -46.36 121.19 4.37 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.593 2.195 . . . . 0.0 112.435 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.51 -29.18 61.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -35.97 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.984 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mt -80.03 -41.46 25.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.036 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.84 -27.47 30.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.267 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -40.43 88.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.11 -28.6 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.132 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.3 mt -71.7 -47.19 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 111.064 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.18 -38.09 39.38 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.988 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 20' ' ' VAL . 13.3 t -70.09 -32.14 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.699 0.285 . . . . 0.0 111.045 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.439 ' N ' HG22 ' A' ' 19' ' ' THR . 21.2 t -80.29 -35.9 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 t -57.15 -33.56 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.328 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -31.63 52.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.131 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 t -80.13 -42.31 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.251 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.408 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 7.9 mp -132.98 68.31 78.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.282 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.14 -18.62 65.92 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.514 2.143 . . . . 0.0 112.236 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -95.9 -39.14 9.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.097 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.408 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 1.4 t -59.5 -40.62 87.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.002 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -60.18 -40.73 90.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.661 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -56.79 -27.94 60.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.026 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mt -73.28 -38.76 54.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.459 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 3.6 m-85 -73.01 -29.69 63.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' HG3' ' CD1' ' A' ' 5' ' ' PHE . 6.6 tt0 -57.77 -49.58 76.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.704 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.8 -27.39 63.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -49.97 69.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.947 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.423 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -68.23 -28.09 66.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 1.5 mmmp? -77.85 -46.59 21.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.746 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -64.68 -50.02 68.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.55 -26.11 66.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.227 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -30.32 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -80.04 -45.43 18.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.51 -17.15 60.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.176 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -53.23 -28.83 29.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.76 0.314 . . . . 0.0 111.105 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.7 m -70.76 65.79 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.812 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.35 -168.7 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.08 150.19 34.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -145.19 26.93 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.6 m 56.93 31.93 20.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.973 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.2 151.13 32.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -105.45 163.82 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -88.11 -66.49 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -140.36 106.84 5.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.86 134.07 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.49 156.13 54.47 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.413 2.075 . . . . 0.0 112.326 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -107.68 76.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 pt -64.86 173.38 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.195 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.23 128.06 4.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.38 152.3 27.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.1 -37.25 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.6 m 62.01 -164.47 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.0 t70 69.74 128.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.968 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mp -132.39 -179.88 5.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.49 -69.37 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.05 58.64 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.76 -37.2 7.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.07 102.47 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.813 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -99.33 35.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.979 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.7 tt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.057 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -112.04 -170.57 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 16.1 ttt -133.2 137.61 46.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 36.4 mtt -128.8 109.96 11.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 73.3 p -152.24 44.49 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.804 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -114.49 113.32 24.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 29.2 mt -118.09 -38.67 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -65.37 -47.58 75.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.1 mt -93.82 19.19 9.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.289 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.43 -36.46 4.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.868 0.366 . . . . 0.0 110.765 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -81.02 -60.67 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.476 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 1.9 pp -51.25 170.35 0.2 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.474 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 92.3 Cg_exo -44.81 93.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.322 2.015 . . . . 0.0 112.297 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -47.45 -28.89 2.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.459 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 70.0 p -68.88 -40.65 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.639 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -30.83 39.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.81 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.64 -27.79 59.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -59.38 -41.9 90.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -79.88 -33.95 39.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 27.5 mt -70.5 -50.09 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.06 -19.7 57.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.617 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -32.85 39.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.678 0.275 . . . . 0.0 111.312 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 11.9 t -80.08 -30.71 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.628 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -54.33 -33.57 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.216 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -55.96 -27.15 51.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.757 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 22.9 t -80.06 -33.44 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' B' ' 97' ' ' SER . 3.3 mt -141.83 69.52 24.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.237 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.29 -17.88 62.18 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.372 2.048 . . . . 0.0 111.414 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -41.4 11.8 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.666 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' SER . . . . . 0.436 ' HB2' ' CD2' ' B' ' 94' ' ' LEU . 3.8 t -58.57 -49.94 75.6 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.917 0.389 . . . . 0.0 110.631 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.453 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -55.19 -32.91 62.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.042 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -59.09 -42.27 90.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.932 0.396 . . . . 0.0 110.839 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.7 mt -68.22 -46.29 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.459 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 42.2 m-85 -64.97 -31.13 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.888 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.42 ' O ' ' CD1' ' B' ' 105' ' ' TYR . 0.6 OUTLIER -57.91 -39.37 77.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.714 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.05 -29.25 39.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.387 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' B' ' 107' ' ' TYR . 2.7 tt -64.73 -49.19 71.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.789 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.42 ' CD1' ' O ' ' B' ' 102' ' ' GLU . 0.9 OUTLIER -73.79 -16.5 61.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.274 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -50.12 11.3 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.214 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . 0.423 ' CE2' HD21 ' B' ' 104' ' ' LEU . 1.5 p90 -67.78 -30.76 70.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.26 86.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.5 mt -80.06 -35.08 37.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -28.76 67.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -56.97 -30.78 64.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.19 -32.23 73.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 2.9 p -153.85 105.39 2.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -136.59 29.72 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -176.69 108.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.69 -79.8 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 3.9 p 49.22 30.0 2.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.21 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -113.88 167.16 10.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -169.73 -42.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.24 156.91 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -95.59 144.32 26.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.992 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 162.62 32.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.98 93.37 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.558 2.172 . . . . 0.0 112.334 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.97 101.11 11.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.61 120.11 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.009 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -65.74 173.94 2.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.72 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.951 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 59.0 p -67.86 71.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.025 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 1.4 m 54.8 -177.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -138.24 161.44 36.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 1.1 mp -132.38 -177.0 4.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 tp 61.68 159.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.49 157.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.29 -177.33 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -178.81 -38.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 43.68 88.63 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.528 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.087 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.593 -0.203 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -107.75 108.56 19.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.4 tpp -107.72 -170.78 1.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 ttt -83.07 164.95 19.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.994 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -72.25 105.74 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -126.25 173.89 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 mt 60.49 33.61 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -151.51 -58.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.37 -11.64 61.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.404 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.26 -26.95 42.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.729 0.299 . . . . 0.0 110.952 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.67 -70.38 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.993 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.15 162.15 6.17 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.018 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.8 146.76 10.95 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -74.36 -29.12 61.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.069 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -56.55 -41.92 77.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mt -80.08 -40.53 27.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 p -54.67 -24.64 22.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.42 -49.88 69.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -76.34 -29.79 57.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.1 mt -76.58 -50.21 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.713 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.83 -21.02 54.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.218 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -47.26 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 t -80.1 -35.61 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.193 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.2 t -56.01 -30.67 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.801 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -53.98 -30.85 48.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.421 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.3 t -73.88 -48.28 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.642 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.411 ' HB2' HD23 ' B' ' 94' ' ' LEU . 3.9 mm? -121.48 67.45 19.58 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.86 -18.94 65.95 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.41 2.073 . . . . 0.0 111.658 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -90.26 -40.85 11.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.8 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.414 ' HB2' ' CG2' ' B' ' 90' ' ' VAL . 1.0 OUTLIER -61.49 -31.52 71.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.873 0.368 . . . . 0.0 110.546 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.71 -38.63 72.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -53.2 -39.14 63.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.502 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.8 mp -72.72 -34.29 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.08 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -71.93 -44.37 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 8.7 pt-20 -56.76 -41.99 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.353 . . . . 0.0 110.731 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -29.35 60.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.557 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.06 -50.01 72.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.434 ' CZ ' ' HG2' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -69.43 -30.91 68.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.884 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -74.38 -32.54 62.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.776 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -68.98 -42.51 76.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.92 -28.5 55.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.346 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.54 -35.36 72.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -75.64 -29.64 59.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.88 -32.22 69.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -76.58 -32.95 58.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.69 148.55 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -115.94 31.72 6.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -131.61 174.18 10.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.01 -67.67 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.5 t 60.82 93.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -117.15 85.63 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -78.47 155.01 30.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -177.45 97.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.8 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.58 126.27 49.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp 58.35 88.97 0.11 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.011 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.05 167.6 25.63 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.578 2.185 . . . . 0.0 112.308 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 60.57 34.66 20.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.28 136.54 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.086 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -165.43 119.73 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 59.91 -178.17 0.09 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.31 166.51 12.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.84 142.73 38.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.34 -45.34 63.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mp -75.53 -175.18 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mp -92.3 165.43 13.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -134.3 129.53 35.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -82.09 80.71 8.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -128.71 -176.69 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -135.67 -67.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.7 pt . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.251 -0.88 . . . . 0.0 111.129 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 112.541 -0.223 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.09 -169.1 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -77.68 160.22 28.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 82.2 mmm 62.68 -79.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.063 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 26.5 t 60.53 79.75 0.23 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -85.69 99.88 11.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.88 89.33 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -170.25 -45.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.18 -28.33 67.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -36.43 83.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.07 -66.22 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.818 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.495 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 2.0 pp -49.34 170.6 0.14 Allowed Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.66 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 85.1 Cg_exo -45.55 93.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.34 2.027 . . . . 0.0 112.348 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -50.79 -27.59 7.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.325 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.3 m -60.66 -47.04 88.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.661 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.13 -37.46 33.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.76 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.8 -25.03 17.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -59.98 -43.11 95.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.747 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.13 -33.99 38.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 29.6 mt -73.47 -29.24 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.45 -35.95 91.98 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.999 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 6.9 t -71.71 -35.79 70.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.692 0.246 . . . . 0.0 111.18 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 27' ' ' SER . 14.7 p -80.33 -42.26 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 0.0 111.185 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . 0.403 HG12 ' CD1' ' B' ' 98' ' ' LEU . 73.2 t -58.79 -29.8 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.727 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -51.15 -35.07 33.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.137 0.494 . . . . 0.0 110.276 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 49.1 t -80.18 -26.39 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.63 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.43 ' N ' ' HD3' ' B' ' 95' ' ' PRO . 0.7 OUTLIER -134.18 63.29 60.89 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.056 -179.773 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' B' ' 94' ' ' LEU . 5.4 Cg_exo -78.57 -47.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.793 2.329 . . . . 0.0 112.012 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 47.1 t -62.1 -30.82 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' SER . . . . . 0.423 ' HB3' HD22 ' B' ' 94' ' ' LEU . 22.9 t -74.28 -33.37 63.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.108 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.403 ' CD1' HG12 ' B' ' 91' ' ' VAL . 0.4 OUTLIER -44.91 -39.38 5.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.474 -179.827 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -27.22 25.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.1 mt -78.17 -39.79 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -74.14 -31.75 62.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.435 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 23.2 tt0 -59.23 -47.29 85.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.709 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.87 -23.85 59.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.689 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 2.4 tt -68.54 -48.27 64.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.5 p90 -66.45 -34.95 79.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.859 0.362 . . . . 0.0 110.938 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . 0.408 ' HD3' ' CE1' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -71.82 -30.12 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.787 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -60.84 -50.15 74.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.1 87.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.221 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -61.1 -42.18 98.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -60.77 -31.4 70.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -31.4 69.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -66.98 -24.87 66.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.63 167.46 0.35 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.089 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 61.63 72.96 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -171.51 123.23 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -69.47 102.15 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 52.8 p -173.63 113.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.32 104.02 8.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.12 135.9 14.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -119.2 -42.62 2.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.11 166.17 23.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -68.72 145.68 97.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.39 126.8 11.28 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.507 2.138 . . . . 0.0 112.387 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.68 168.01 12.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 4.3 tt -168.33 140.29 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -71.1 163.46 27.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.05 131.99 52.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 48.4 p -155.59 168.75 26.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.97 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 8.7 t 60.22 91.5 0.05 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -126.08 -61.88 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.22 160.92 17.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 48.0 tp -162.5 152.24 16.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.99 153.88 39.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 1.7 t -136.21 79.41 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -62.49 -38.94 91.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -132.93 -64.89 0.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.054 -179.917 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -119.28 66.83 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.7 mmm -132.24 68.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.66 61.43 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.6 p -71.72 151.87 43.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.419 ' HB2' ' CE1' ' A' ' 5' ' ' PHE . 27.2 mmtt -90.23 -179.62 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.1 48.59 2.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.459 ' CZ ' ' CD1' ' A' ' 6' ' ' LEU . 52.1 p90 -116.59 -35.64 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.976 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.459 ' CD1' ' CZ ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -60.62 -36.93 79.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -58.96 -51.61 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -61.22 -30.82 70.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 mt -79.71 155.15 75.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -56.86 -162.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.635 2.224 . . . . 0.0 112.373 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.98 -35.04 8.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -75.28 -31.47 60.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.07 -32.93 65.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 p -59.26 -22.49 61.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -79.86 -50.12 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.138 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -33.88 76.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.135 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.5 mt -70.84 -49.49 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.57 -19.47 58.05 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.71 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -38.96 41.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.916 0.389 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.12 -30.04 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.26 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.9 t -59.0 -38.45 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.265 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -32.67 9.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.941 0.4 . . . . 0.0 111.06 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.32 -41.04 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.467 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.42 ' HB2' HD23 ' B' ' 94' ' ' LEU . 4.3 mm? -125.86 71.52 68.12 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 111.574 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.16 -17.55 54.87 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.331 2.021 . . . . 0.0 111.172 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -88.63 -40.92 12.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.606 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.1 m -59.57 -47.05 87.08 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.949 0.404 . . . . 0.0 110.46 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.17 -48.9 4.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.524 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.14 -35.09 72.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mm -72.73 -46.62 53.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.415 ' CE1' HG23 ' B' ' 91' ' ' VAL . 23.0 m-85 -69.79 -40.91 75.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.436 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 1.3 tm-20 -58.86 -41.37 86.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.98 0.419 . . . . 0.0 110.645 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.07 -26.52 53.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.686 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -50.06 66.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 1.3 p90 -64.05 -29.91 71.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 2.8 mmtp -76.28 -36.77 58.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.767 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -59.71 -50.05 75.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.736 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -26.19 68.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.253 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.0 -30.13 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -80.05 -42.24 24.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.214 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -19.43 52.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.398 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -51.85 -30.54 24.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.794 0.33 . . . . 0.0 111.097 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 t -113.58 32.17 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -119.31 162.96 17.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 t70 64.92 163.39 0.14 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.2 176.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.87 -76.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -165.32 146.91 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -100.95 -178.82 3.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.44 143.96 35.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mttp 61.82 165.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -108.73 146.98 34.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.1 58.75 5.69 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.585 2.19 . . . . 0.0 112.319 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 57.27 90.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.5 tp -103.07 -31.87 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.05 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.63 134.9 49.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -151.33 124.8 8.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.64 -66.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.26 92.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.803 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -135.51 84.86 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.8 mp 61.14 155.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.79 -70.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.88 159.12 15.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.2 m -106.37 82.62 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.27 -67.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.26 -175.7 0.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.158 179.874 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -110.62 -33.22 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.801 0.334 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.6 ttp 61.7 96.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 4.9 mmt -107.81 -178.76 3.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.971 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.8 p -74.68 81.94 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -169.75 113.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 mp -138.15 107.12 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -173.92 -44.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 4.9 mp -91.9 -30.46 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -30.24 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -86.34 -42.66 13.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.803 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.412 ' HB3' ' HD2' ' B' ' 80' ' ' PRO . 3.6 mt -53.14 167.67 0.41 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.657 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' B' ' 79' ' ' LEU . 90.9 Cg_exo -43.52 95.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.408 2.072 . . . . 0.0 112.2 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.17 -27.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.643 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 16.5 t -67.55 -50.65 57.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.728 0.299 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.406 ' CD2' ' HB2' ' B' ' 80' ' ' PRO . 0.9 OUTLIER -80.63 -39.47 27.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.934 179.698 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 70.8 m -52.91 -24.92 10.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -44.33 89.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.043 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -40.12 89.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.865 0.364 . . . . 0.0 110.819 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 21.7 mt -74.93 -28.22 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.76 -26.32 74.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.656 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.466 HG23 ' N ' ' B' ' 90' ' ' VAL . 12.0 t -79.63 -34.87 40.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.686 0.279 . . . . 0.0 111.049 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.466 ' N ' HG23 ' B' ' 89' ' ' THR . 12.5 p -80.41 -44.2 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.119 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . 0.415 HG23 ' CE1' ' A' ' 31' ' ' PHE . 58.6 t -62.27 -33.71 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.52 -29.29 4.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.942 0.401 . . . . 0.0 110.574 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 85.9 t -80.05 -49.88 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.701 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 24' ' ' LEU . 1.1 mp -111.46 71.94 0.92 Allowed Pre-proline 0 N--CA 1.453 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.261 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.66 -24.21 22.05 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.486 2.124 . . . . 0.0 111.752 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.03 -33.86 22.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.744 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' SER . . . . . . . . . . . . . 21.2 t -65.37 -43.34 91.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.0 110.689 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.07 -36.53 60.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.28 -31.81 63.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 26.5 mt -68.98 -39.33 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -72.7 -30.04 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -59.77 -36.2 76.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -50.19 59.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.83 -25.63 63.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.87 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.414 ' CZ ' ' HA ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -53.97 -50.03 67.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -78.37 -33.11 49.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -60.89 -49.99 75.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.0 -29.4 70.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.267 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.92 -35.17 74.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.938 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.96 -28.74 39.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.03 -21.41 45.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.289 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -53.34 -41.9 66.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.811 0.339 . . . . 0.0 111.191 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 1.1 m 179.71 -175.77 0.29 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -105.39 -179.03 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -107.29 39.86 1.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.61 162.39 27.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.77 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.82 140.8 16.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.808 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.67 31.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -93.88 108.47 20.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -131.09 149.8 52.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -140.18 32.29 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -119.62 95.4 49.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.94 119.0 6.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.391 2.061 . . . . 0.0 112.218 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.08 101.92 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 23.9 mt -137.21 -46.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.186 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 1.5 t70 60.7 32.24 20.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -78.29 131.04 36.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 23.0 t -105.52 179.48 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 2.4 p -88.66 -40.4 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 62.61 146.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 59.32 29.12 18.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.36 147.36 17.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -122.46 -44.73 2.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 4.8 m -107.59 98.6 8.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -120.56 141.45 50.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -139.5 79.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 7.6 tt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.055 179.913 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -172.63 -41.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.377 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.4 ttt -131.72 129.08 40.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.24 150.46 12.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.71 102.34 4.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -154.52 33.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -93.44 -33.83 13.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -59.86 -25.05 64.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.3 mt -85.57 -25.16 26.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.065 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.32 -32.65 68.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.961 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.05 -42.57 90.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.404 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 4.1 pp -81.82 156.79 69.93 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.679 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 9' ' ' LEU . 6.3 Cg_endo -48.7 137.98 26.1 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.9 2.4 . . . . 0.0 112.299 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -29.83 70.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.047 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.69 -49.61 72.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 mt -80.07 -34.47 38.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.99 -29.24 42.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -37.74 85.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.89 -34.45 39.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 mt -70.84 -50.0 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.6 -19.28 54.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.447 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -39.33 30.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 110.984 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 t -80.0 -28.67 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.354 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.7 t -54.71 -30.69 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -57.99 -28.43 64.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.686 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.0 t -80.0 -39.72 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 mp -131.77 69.58 81.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.278 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.43 -28.15 54.38 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.671 2.247 . . . . 0.0 111.841 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -84.12 -37.93 21.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -58.68 -43.3 89.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.794 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.46 -43.49 16.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.344 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.95 -29.92 31.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.02 -45.04 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -72.29 -35.57 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.786 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.43 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -60.87 -40.68 93.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.645 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -80.11 -24.56 40.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.645 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.23 -49.25 65.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.034 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.43 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -63.5 -38.24 90.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.826 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -32.07 73.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.771 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -70.65 -49.96 41.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.74 -29.29 62.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.212 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.8 mt -59.34 -34.08 71.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -69.78 -29.36 66.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.41 -22.23 41.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.157 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -53.81 -29.83 42.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.002 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.6 p -89.96 161.22 16.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.814 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 m120 61.28 113.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.78 131.13 56.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.948 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.93 -46.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -98.88 36.05 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -127.76 79.37 1.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -139.85 19.67 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.6 m80 52.86 -169.23 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.853 0.359 . . . . 0.0 111.067 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 mttm 64.06 134.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.0 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.8 80.5 0.27 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -87.18 32.52 0.43 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.876 2.384 . . . . 0.0 112.849 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -176.97 161.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 mp -103.04 135.45 40.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.14 -169.02 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.81 120.51 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.0 172.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 t -96.42 -28.22 14.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.5 -165.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.42 34.76 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.22 80.13 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.747 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -87.55 79.08 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.4 m -112.14 144.97 40.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.62 104.49 16.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -160.54 -61.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.089 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -111.77 -71.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.332 . . . . 0.0 110.827 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 1.6 mpt? 60.87 111.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.41 -28.23 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.0 m 63.67 126.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.92 -19.33 13.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.253 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.71 92.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.903 0.383 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -136.39 -46.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.815 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 mp -74.14 -30.11 62.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.941 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -44.35 96.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.983 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -68.83 -67.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.466 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 1.8 pp -50.56 170.24 0.19 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.605 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 84.4 Cg_exo -47.12 92.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.34 2.027 . . . . 0.0 112.283 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -53.66 -26.81 24.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.232 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -61.18 -47.7 84.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.788 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -80.05 -29.51 39.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.2 m -52.37 -28.58 20.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.187 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -59.27 -43.96 92.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -80.07 -28.41 39.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 26.5 mt -74.01 -43.77 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.41 -38.43 62.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.826 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.444 HG21 ' N ' ' B' ' 90' ' ' VAL . 10.3 t -68.64 -33.83 74.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.956 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.444 ' N ' HG21 ' B' ' 89' ' ' THR . 22.1 t -80.23 -40.61 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.59 -32.54 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -29.8 42.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.35 -40.0 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.986 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 mp -130.43 70.7 82.4 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.193 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.25 -32.09 34.12 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.731 2.287 . . . . 0.0 111.77 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -80.38 -35.47 35.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.799 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' SER . . . . . . . . . . . . . 1.3 t -60.31 -47.03 87.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.822 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.15 -33.97 69.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.771 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -56.0 -32.9 64.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 17.9 mt -73.63 -40.29 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.402 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 97.7 m-85 -70.35 -28.25 64.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.425 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 3.2 mt-10 -60.07 -49.93 75.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.791 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.92 -30.51 62.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.42 ' HA ' ' CE2' ' B' ' 107' ' ' TYR . 0.0 OUTLIER -62.84 -43.19 99.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.448 179.725 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 0.5 OUTLIER -80.0 -17.88 51.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.047 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.41 -50.1 68.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.185 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . 0.42 ' CE2' ' HA ' ' B' ' 104' ' ' LEU . 6.0 p90 -77.93 -28.8 49.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.741 0.305 . . . . 0.0 111.086 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.91 -29.28 59.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.219 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 mt -72.64 -45.38 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -60.11 -29.45 68.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.18 -31.19 67.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -66.18 -31.72 72.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 1.2 t -92.23 79.06 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.21 -178.32 5.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -161.08 159.07 28.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -152.81 78.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.4 t -80.15 -44.46 19.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -143.34 170.72 15.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -84.03 -178.22 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -127.11 -57.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.008 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt 59.82 159.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -157.6 85.52 2.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.12 105.77 1.77 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.561 2.174 . . . . 0.0 112.222 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 61.32 166.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.49 145.81 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.84 31.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.32 121.98 28.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.823 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 68.2 m -116.99 -72.5 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 39.6 m 60.47 105.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -111.94 -67.84 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.45 171.58 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.31 137.8 58.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.66 67.55 0.56 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.75 152.02 51.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 60.29 162.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -120.42 157.45 29.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.11 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -127.89 35.61 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.84 0.352 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.2 ttt -64.41 153.26 39.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 tpp -136.99 155.51 49.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -114.46 90.79 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.7 mttp 62.17 147.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.0 mt -148.06 -78.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.726 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.411 ' CD2' ' HG3' ' A' ' 32' ' ' GLU . 3.5 p90 -74.27 -13.21 60.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.07 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.95 -31.02 44.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.51 -41.93 91.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -28.97 67.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.7 mt -80.54 157.62 72.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -61.75 -166.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.697 2.264 . . . . 0.0 112.184 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.52 -41.82 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 t -59.69 -48.44 81.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.99 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -44.72 63.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.6 m -57.22 -26.16 60.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -71.63 -41.83 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.03 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -73.86 -26.65 60.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.109 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.2 mt -78.95 -30.91 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.946 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.7 -26.2 74.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.596 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.2 t -79.68 -35.6 38.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.322 . . . . 0.0 111.016 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.1 p -80.09 -43.6 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.438 ' CG1' HD21 ' A' ' 28' ' ' LEU . 92.3 t -60.18 -29.93 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.0 ttp85 -55.28 -34.02 63.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.5 t -80.11 -50.04 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.317 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.444 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 1.6 mm? -114.8 66.16 1.78 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.287 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.11 -13.13 33.42 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.453 2.102 . . . . 0.0 111.916 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.98 -40.07 10.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.444 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 7.8 t -66.62 -32.01 73.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.943 0.402 . . . . 0.0 110.561 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.438 HD21 ' CG1' ' A' ' 21' ' ' VAL . 0.3 OUTLIER -55.57 -43.35 75.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.765 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -52.41 -30.63 30.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.9 mm -66.59 -42.78 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.808 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -77.15 -31.28 55.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.795 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 37.7 tt0 -58.47 -50.09 74.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.593 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -71.09 -23.59 62.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.46 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tt -67.68 -50.07 59.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.973 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.43 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 1.5 p90 -66.24 -36.83 84.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.753 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.43 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -61.97 -46.47 89.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.025 0.441 . . . . 0.0 110.687 179.833 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.03 -42.72 99.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.802 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.95 -21.18 42.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.513 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.4 mt -74.24 -44.91 51.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.773 0.32 . . . . 0.0 111.003 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.95 -40.56 95.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.982 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.1 -19.81 46.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.165 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -55.36 -34.07 63.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.787 0.327 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -174.55 101.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -177.21 -39.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.16 154.26 18.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.933 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -155.79 -46.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -158.72 -65.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.979 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -144.63 -175.09 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 63.81 109.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.29 -63.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.78 125.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.09 76.98 2.13 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.54 170.36 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.461 2.107 . . . . 0.0 112.174 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.45 164.92 2.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.066 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.0 mt 55.33 -89.33 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.288 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 175.92 -71.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.834 0.35 . . . . 0.0 110.798 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -151.99 105.27 3.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 t -126.87 -51.99 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.7 t -80.65 163.89 23.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -113.59 148.62 35.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.6 mt -90.48 -76.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 58.19 94.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt 60.32 66.87 0.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.814 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 t -104.09 155.97 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.819 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -61.8 104.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -148.0 123.77 10.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.6 tt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.192 -0.908 . . . . 0.0 111.137 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -37.45 56.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 5.3 mtp -102.78 154.4 19.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.14 -46.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.4 p -114.11 88.66 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -88.71 96.5 10.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.778 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.54 153.71 17.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.066 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.436 ' CG ' ' O ' ' B' ' 75' ' ' PHE . 76.9 t80 63.19 16.62 9.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.339 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mt -151.89 27.15 0.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.012 0.434 . . . . 0.0 110.59 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.44 -45.91 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.279 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.09 -61.57 2.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.53 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.467 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 0.2 OUTLIER -55.7 166.05 1.11 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.418 179.448 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.467 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 93.8 Cg_exo -42.73 91.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.597 2.198 . . . . 0.0 112.47 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' B' ' 79' ' ' LEU . 1.6 tp10 -53.62 -25.04 15.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.354 -179.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.83 -39.61 74.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.934 0.397 . . . . 0.0 110.776 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.04 -34.74 38.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.914 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 51.6 m -51.96 -26.94 11.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.211 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -58.64 -44.84 90.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -80.02 -28.25 39.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.995 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 27.9 mt -69.23 -33.98 60.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.25 -35.81 86.16 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.642 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.438 HG22 ' N ' ' B' ' 90' ' ' VAL . 15.1 t -74.78 -30.52 61.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 110.967 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.438 ' N ' HG22 ' B' ' 89' ' ' THR . 21.5 t -80.28 -46.05 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 24.8 t -59.48 -34.42 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.49 -35.17 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 25.5 t -80.11 -46.33 22.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.157 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' B' ' 97' ' ' SER . 3.1 mm? -117.3 69.89 5.72 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.279 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.59 -5.07 16.1 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.423 2.082 . . . . 0.0 112.269 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -109.28 -36.98 5.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.167 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' SER . . . . . 0.437 ' HB3' ' HB3' ' B' ' 94' ' ' LEU . 9.7 t -64.32 -33.05 74.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.727 0.298 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.12 -33.02 50.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.067 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -56.16 -40.02 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 40.0 mt -71.22 -36.53 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -75.71 -29.59 59.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.408 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 2.3 mt-10 -56.81 -45.8 82.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.747 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -76.22 -25.73 55.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.655 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.4 tt -65.84 -49.93 66.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.418 ' CZ ' ' HG2' ' B' ' 106' ' ' LYS . 0.6 OUTLIER -69.51 -35.79 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.759 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . 0.418 ' HG2' ' CZ ' ' B' ' 105' ' ' TYR . 0.1 OUTLIER -72.6 -38.38 67.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.8 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -59.1 -45.5 90.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.26 -24.25 63.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.198 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 28.7 mt -71.69 -29.49 64.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.019 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -70.42 -36.86 74.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.031 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.64 -27.32 60.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.988 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -72.84 -28.12 62.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.94 30.86 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.09 89.03 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -81.57 110.11 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.35 156.87 14.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.806 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.81 95.24 2.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -171.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -143.39 123.1 13.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -131.35 -178.05 4.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -163.07 149.43 12.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.6 141.9 0.54 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -73.74 172.74 15.21 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.496 2.131 . . . . 0.0 112.343 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -140.12 63.27 1.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . 0.477 HG22 HD11 ' B' ' 125' ' ' ILE . 0.0 OUTLIER -126.3 119.41 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.061 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.41 129.68 53.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -160.7 102.0 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 8.2 t -105.89 -59.16 1.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.62 179.8 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -164.92 104.24 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 2.8 mt -85.88 156.6 20.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.34 161.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.14 -47.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.25 84.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -82.5 128.29 34.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -135.22 140.83 45.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.046 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -139.06 160.22 40.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.22 99.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ttm -90.3 141.33 28.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -127.17 179.6 5.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.831 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -107.17 108.49 19.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.07 5.94 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.528 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -81.92 -57.18 3.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.878 0.371 . . . . 0.0 110.769 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -85.02 -29.97 24.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -57.5 -26.82 61.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -97.6 31.13 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.8 mt -138.25 159.26 68.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.65 -172.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.552 2.168 . . . . 0.0 112.342 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -32.29 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t -75.06 -43.04 55.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.9 -49.08 76.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 t -54.24 -25.48 23.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -79.06 -45.94 19.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.107 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -75.62 -34.86 60.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.949 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.433 HD11 HG23 ' A' ' 17' ' ' ILE . 56.8 mt -80.04 -44.43 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.812 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.03 -25.53 64.4 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.745 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 20' ' ' VAL . 10.2 t -80.07 -38.27 32.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.692 0.282 . . . . 0.0 111.019 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' N ' HG22 ' A' ' 19' ' ' THR . 13.0 p -80.2 -40.01 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.251 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.4 t -54.94 -29.08 21.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.14 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -31.51 63.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.794 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.5 t -80.22 -50.18 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.182 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mp -114.82 72.47 2.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.265 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.83 -20.08 15.59 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.578 2.185 . . . . 0.0 112.144 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.19 -37.34 12.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 t -60.52 -38.91 85.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.856 0.36 . . . . 0.0 110.685 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.11 -29.0 43.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.018 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -57.13 -43.56 82.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.789 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.0 mp -68.26 -31.32 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.792 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -78.83 -27.57 44.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.41 -50.11 74.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.816 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.24 -50.04 74.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.465 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -37.93 87.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.875 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -44.81 95.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.419 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -79.35 -29.94 42.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.88 -50.02 75.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.54 -27.95 69.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.78 -29.46 65.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -27.85 69.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.21 -32.26 64.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.939 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -78.17 -42.11 32.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.67 104.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -94.04 147.12 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -135.16 115.29 13.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.033 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.45 -176.69 0.09 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.4 t -150.08 -47.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -109.5 80.4 1.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -69.98 -41.84 73.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 60.72 73.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -152.73 161.58 42.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.57 140.56 21.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.51 152.77 25.57 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.422 2.081 . . . . 0.0 112.284 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -71.38 156.36 39.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 tp -130.91 147.66 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -69.84 110.13 4.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.51 151.81 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.4 m -123.57 31.66 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.6 m -121.14 32.06 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -129.66 -46.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mt -130.63 -175.82 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.4 80.74 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -92.78 -62.02 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.4 t -134.0 157.65 45.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.03 173.11 12.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.44 35.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.8 tt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.077 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -149.53 -50.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.742 0.306 . . . . 0.0 110.791 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.95 173.66 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -100.28 31.05 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.72 159.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.41 78.7 1.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mt -104.87 112.94 26.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.44 ' CE2' ' HG ' ' B' ' 76' ' ' LEU . 2.0 p90 -177.16 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.44 ' HG ' ' CE2' ' B' ' 75' ' ' PHE . 3.9 mt -69.22 -17.51 63.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.176 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -84.02 3.52 34.05 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.572 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -127.82 -55.43 1.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.792 0.33 . . . . 0.0 110.825 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.473 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 3.8 pp -51.25 163.85 0.51 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.682 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 88.4 Cg_exo -42.45 94.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.556 2.17 . . . . 0.0 112.499 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -51.41 -25.94 7.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.328 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -55.73 -44.61 77.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.937 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.4 mt -80.13 -29.62 38.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 70.9 m -54.65 -29.46 52.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.16 -45.57 92.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -79.95 -37.7 33.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 16.6 mt -66.21 -45.16 90.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.28 -49.27 25.68 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.049 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.433 HG22 ' N ' ' B' ' 90' ' ' VAL . 4.8 t -59.57 -33.6 71.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.326 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.433 ' N ' HG22 ' B' ' 89' ' ' THR . 21.9 t -80.29 -42.04 21.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.224 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 11.3 t -59.06 -36.62 63.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.244 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -28.85 9.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 32.0 t -80.13 -48.48 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.046 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.45 ' HB3' ' HB3' ' B' ' 97' ' ' SER . 3.5 mm? -117.78 69.2 6.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.97 -7.54 20.85 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.452 2.101 . . . . 0.0 112.162 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.6 p -104.25 -36.8 7.51 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' SER . . . . . 0.45 ' HB3' ' HB3' ' B' ' 94' ' ' LEU . 42.4 t -64.43 -38.44 91.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.884 0.373 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.92 -30.9 59.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.268 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.67 -35.31 72.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.2 mt -66.4 -47.26 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.036 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -66.75 -26.98 67.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 10.1 tt0 -56.89 -46.69 81.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.397 . . . . 0.0 110.738 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -15.5 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.006 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 2.2 tt -74.8 -50.01 18.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.092 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.5 OUTLIER -60.2 -39.87 88.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.925 0.393 . . . . 0.0 110.872 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -70.73 -30.7 67.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.7 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -71.27 -49.96 37.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.808 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.51 -37.34 78.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.65 -43.51 97.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -66.46 -30.4 70.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -60.33 -40.65 91.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -80.06 -44.96 19.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 5.1 p 59.96 157.06 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -177.91 100.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -77.13 172.95 12.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.65 41.14 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 3.6 m -59.08 152.88 19.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.49 158.53 23.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -155.33 137.4 14.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.799 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -104.64 120.05 40.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.46 139.84 50.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.44 143.04 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.76 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.92 -174.61 1.98 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.515 2.143 . . . . 0.0 112.359 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -148.72 179.02 8.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.763 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 70.0 mt 51.52 89.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -75.94 104.93 6.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.4 129.24 3.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.41 -45.96 4.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 1.4 m 60.98 100.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -112.42 -61.74 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -145.13 169.52 18.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.4 tt -126.01 -44.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -149.42 146.73 27.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 2.9 t -173.99 127.54 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 66.52 -75.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -159.14 -49.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.215 -0.897 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.139 0 N-CA-C 112.647 -0.181 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -94.04 151.06 19.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -144.54 141.72 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm -133.13 50.64 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -101.43 39.68 1.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -94.77 101.25 13.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.6 -19.42 12.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -88.8 52.23 2.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.912 0.387 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mt -159.52 -44.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -67.93 -28.75 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -57.0 -49.92 74.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.69 160.02 59.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -49.77 163.54 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.626 2.217 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -43.17 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.048 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 m -59.34 -32.67 70.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.981 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 mt -80.23 -30.29 38.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.2 m -62.32 -49.96 73.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.287 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -56.94 -31.96 65.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.223 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -72.09 -35.62 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.945 0.403 . . . . 0.0 110.799 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 mt -77.0 -46.78 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.754 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.4 -40.63 86.35 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.631 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 20' ' ' VAL . 7.9 t -61.44 -39.23 90.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 110.814 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.403 ' N ' HG22 ' A' ' 19' ' ' THR . 22.3 t -80.21 -35.03 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.061 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.9 t -58.84 -35.84 58.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.06 -32.16 9.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.006 0.431 . . . . 0.0 110.76 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.7 t -80.18 -41.43 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.801 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 4.4 mm? -125.3 73.41 67.15 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.268 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.58 -11.01 30.15 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.524 2.15 . . . . 0.0 112.104 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -104.37 -35.64 7.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.064 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 3.1 t -63.02 -37.58 87.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.88 0.372 . . . . 0.0 110.743 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -33.43 70.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.788 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -31.49 66.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.0 mt -78.85 -48.23 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.08 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' CE1' ' HG ' ' B' ' 98' ' ' LEU . 12.9 m-85 -65.0 -31.62 72.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.038 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 1.6 tt0 -60.1 -50.08 75.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.775 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.54 -20.51 62.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -50.14 29.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.442 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.7 p90 -64.86 -29.25 70.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 30.3 mttt -77.05 -30.73 55.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -69.59 -49.93 49.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.23 -22.69 63.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -28.44 69.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.151 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -79.38 -28.72 41.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.7 -43.85 90.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.078 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -80.03 -10.84 59.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.409 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -95.74 38.87 1.15 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.796 0.331 . . . . 0.0 111.072 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 61.02 155.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.962 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.29 83.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -59.38 132.25 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.8 p -102.86 -22.84 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 66.75 162.57 0.17 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.936 0.398 . . . . 0.0 110.825 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.75 -156.23 0.7 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.683 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.7 m80 64.44 168.83 0.17 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.742 0.306 . . . . 0.0 110.998 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 tttp 64.19 118.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.76 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.23 153.86 81.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.36 -177.31 2.32 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.523 2.149 . . . . 0.0 112.368 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.35 149.98 29.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.6 mm -99.84 139.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.042 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.47 30.7 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.13 -177.6 3.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.4 m -64.26 160.36 18.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 m -122.87 144.36 49.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -102.02 141.68 34.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.04 175.6 8.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.7 mt -77.1 93.97 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.11 -31.67 8.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.7 t -166.99 149.99 6.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.53 132.8 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -139.42 -51.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.094 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.129 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 t60 68.96 -67.03 0.23 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.878 0.371 . . . . 0.0 111.08 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 43.2 mtm -141.09 32.19 1.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.808 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.54 31.94 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.1 p -129.69 -178.82 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -107.05 79.11 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.91 176.63 5.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.403 ' CD1' ' OH ' ' B' ' 105' ' ' TYR . 9.6 t80 67.8 -68.79 0.15 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mp -60.71 -21.22 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.245 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.88 -29.61 61.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.117 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -98.11 -58.96 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.18 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.427 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 3.2 pp -47.35 162.87 0.27 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.831 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 92.6 Cg_exo -44.21 94.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.57 2.18 . . . . 0.0 112.481 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -52.92 -28.11 21.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.297 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 87.5 p -63.22 -36.27 83.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.721 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.59 -29.19 51.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.763 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 21.7 p -55.22 -26.96 42.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.036 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -58.63 -47.09 85.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -37.19 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.664 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' B' ' 91' ' ' VAL . 35.7 mt -65.51 -21.82 29.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.179 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.59 -29.3 73.83 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.862 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 2.9 t -80.15 -36.03 35.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.598 0.237 . . . . 0.0 111.423 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 14.4 p -74.28 -41.37 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.405 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' B' ' 87' ' ' ILE . 65.7 t -57.69 -30.25 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.764 0.316 . . . . 0.0 110.887 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -56.27 -27.61 55.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.657 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 38.4 t -80.07 -37.8 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.449 ' HB3' ' HB3' ' B' ' 97' ' ' SER . 3.0 mt -136.6 72.2 57.31 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.262 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.0 -6.04 17.93 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.361 2.041 . . . . 0.0 111.857 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 95.6 p -106.44 -33.67 7.65 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.266 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' SER . . . . . 0.449 ' HB3' ' HB3' ' B' ' 94' ' ' LEU . 40.6 t -67.55 -40.57 84.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.784 0.326 . . . . 0.0 110.811 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.407 ' HG ' ' CE1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -53.03 -32.26 45.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -32.89 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.3 mt -73.83 -35.44 43.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.945 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -76.62 -34.21 58.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.443 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 2.7 mt-10 -59.43 -50.2 74.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.607 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -70.3 -27.26 64.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.486 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 tt -63.73 -49.89 71.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.806 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.443 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.1 p90 -68.86 -22.01 64.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -67.1 -50.18 62.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.407 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -72.8 -29.49 63.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.107 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.15 -27.35 61.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.183 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 9.1 mt -79.12 -44.44 22.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.819 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -57.07 -22.37 38.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.15 -43.53 64.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.042 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.03 -36.6 35.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.029 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.55 137.02 52.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -167.8 75.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.788 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -121.74 161.63 22.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.046 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.24 33.71 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 5.7 m -105.32 135.4 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -137.21 91.63 2.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.992 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 60.24 166.13 0.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.52 91.49 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.996 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -152.24 114.32 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.725 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.57 101.53 15.6 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.61 58.26 5.21 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.705 2.27 . . . . 0.0 112.384 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.32 83.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 30.7 mt -86.85 133.4 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.232 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.35 45.17 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 61.0 179.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.82 -44.45 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.801 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 13.3 m -91.8 -179.07 5.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.967 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 3.1 t0 60.9 55.31 3.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.6 tt -166.41 92.95 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.85 78.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -140.12 92.76 2.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 2.7 t -133.53 170.16 15.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -173.46 -41.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.32 153.97 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 21.6 pt . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.083 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 59.93 98.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.8 ptm -161.13 -163.61 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mtm 63.56 82.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -171.3 71.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.823 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -80.39 117.07 20.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 52.9 mt -152.58 34.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.79 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -128.23 -68.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -65.39 -29.09 69.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.045 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -58.17 -31.59 67.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.963 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -82.96 -43.49 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.4 mt -71.42 161.09 80.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.747 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.14 -172.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.569 2.179 . . . . 0.0 112.188 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -98.89 -31.07 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 t -66.94 -47.47 71.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.993 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 mt -78.79 -28.79 44.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.043 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.73 -31.74 64.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.052 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -42.83 71.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -65.7 -37.04 85.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.0 mt -72.46 -28.41 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.065 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.81 -29.54 73.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.54 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 20' ' ' VAL . 13.8 t -78.5 -31.13 47.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.899 0.381 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.437 ' N ' HG23 ' A' ' 19' ' ' THR . 12.0 t -80.25 -49.63 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.409 ' CG1' ' CD2' ' A' ' 28' ' ' LEU . 44.7 t -57.68 -32.77 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -27.99 45.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.8 t -79.96 -39.54 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.255 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 5.6 mp -134.18 65.07 68.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.277 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -58.34 -25.65 73.83 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.323 2.015 . . . . 0.0 111.37 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.64 -38.53 33.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.577 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.41 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 4.1 t -67.01 -33.58 75.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.921 0.391 . . . . 0.0 110.511 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.409 ' CD2' ' CG1' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -54.39 -33.5 59.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.836 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.46 -32.66 67.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.22 -50.07 66.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.967 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.493 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 49.6 m-85 -68.04 -31.06 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.685 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 40.7 tt0 -57.71 -39.65 77.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.665 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.12 -20.16 45.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.624 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.06 -50.09 10.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.504 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 32' ' ' GLU . 1.6 p90 -68.97 -38.62 79.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.374 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -41.48 75.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.058 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -53.48 -50.11 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.47 -29.77 66.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -37.68 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -80.04 -26.26 39.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -56.19 -40.59 74.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -80.05 -31.59 39.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.13 -68.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.965 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -164.97 119.48 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.821 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.59 34.66 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.3 mtm-85 -149.56 -59.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.45 -72.23 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -176.81 129.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -152.91 -46.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -64.5 82.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -107.13 141.94 37.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.32 147.49 37.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.33 64.06 3.58 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.613 2.209 . . . . 0.0 112.361 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -161.08 29.65 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.2 mt -129.68 -45.27 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.064 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -75.98 -56.49 4.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 48.71 27.58 1.58 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.311 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.2 p 179.24 -76.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.72 112.92 18.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -172.82 155.64 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 tp 62.56 149.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.22 -179.68 4.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.55 -37.27 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.5 m -85.16 148.52 26.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.791 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.72 148.39 48.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -135.51 93.04 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.129 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -110.06 -30.77 7.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.68 0.276 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 4.7 mmt 68.57 -65.87 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 17.1 mtt -55.43 -30.55 60.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 63.2 m 61.6 117.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -89.9 176.9 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.7 -54.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.424 ' CE1' ' HG ' ' B' ' 76' ' ' LEU . 10.9 p90 -87.79 -27.57 22.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.424 ' HG ' ' CE1' ' B' ' 75' ' ' PHE . 91.7 mt -74.49 -27.51 60.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -65.87 -35.11 79.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.115 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.77 -63.03 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.958 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.474 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 2.5 pp -49.29 167.53 0.22 Allowed Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.614 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 91.3 Cg_exo -44.7 93.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.389 2.059 . . . . 0.0 112.456 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -51.78 -28.88 16.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.096 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -60.06 -37.92 81.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.701 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.05 -32.22 39.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.957 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 66.4 m -51.06 -29.43 12.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -44.2 89.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -79.97 -32.93 39.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 18.9 mt -71.82 -50.13 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.918 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.52 -26.34 64.36 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.374 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -42.4 72.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 11.2 t -78.64 -34.51 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.976 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 86.7 t -55.39 -26.8 19.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.694 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -55.72 -35.97 66.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 66.1 t -79.99 -30.65 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.781 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' B' ' 97' ' ' SER . 1.1 mp -136.63 67.0 58.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.048 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.97 -35.77 11.45 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.755 2.304 . . . . 0.0 112.127 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -75.58 -32.74 60.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.981 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' SER . . . . . 0.446 ' HB3' ' HB3' ' B' ' 94' ' ' LEU . 16.9 t -70.71 -31.57 68.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.994 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.83 -34.2 69.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.555 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.81 -27.68 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.596 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 24.3 mm -66.58 -50.11 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.493 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 90.3 m-85 -68.51 -37.99 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -62.57 -29.25 70.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.46 -50.07 15.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.88 -36.83 85.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -59.33 -38.3 79.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.1 -33.98 38.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -64.7 -44.24 90.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.014 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.54 -25.61 67.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.464 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 48.2 mt -57.14 -42.71 81.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.772 0.32 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -64.86 -30.22 71.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.034 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.2 -33.38 73.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -74.48 -33.21 62.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 69.8 m -67.43 147.26 53.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -109.45 125.2 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -72.89 -31.56 64.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 -88.67 147.04 24.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 52.4 p -151.75 40.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 61.81 103.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -60.85 -19.89 60.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 68.02 92.63 0.08 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -177.19 142.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -143.98 127.55 8.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.24 130.6 40.53 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.359 2.04 . . . . 0.0 112.234 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -99.81 95.94 7.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.805 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 2.5 mt -112.18 -33.57 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -93.53 168.91 10.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.95 -44.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 69.4 m -112.07 118.55 35.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.81 -50.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -145.27 92.84 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.0 79.08 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -132.89 -178.91 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.45 -39.26 7.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 2.5 p -148.31 177.56 9.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.82 157.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -129.38 93.46 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.133 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . 0.401 ' CE1' ' HG3' ' A' ' 0' ' ' MET . 20.9 p80 -96.65 -33.47 11.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.843 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.401 ' HG3' ' CE1' ' A' ' -1' ' ' HIS . 5.2 mtt -74.14 138.27 43.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.945 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mtt -134.68 -46.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.43 156.88 4.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 61.72 120.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.94 -32.44 9.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.038 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 6' ' ' LEU . 18.8 p90 -78.31 -33.57 49.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 0.5 OUTLIER -82.32 -22.35 35.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -96.37 29.75 2.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -116.04 -40.8 3.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.73 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 pp -77.72 160.51 74.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -50.24 154.8 5.35 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.538 2.159 . . . . 0.0 112.409 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -76.35 -31.4 58.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -42.07 98.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.8 mt -80.09 -29.97 39.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.053 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -29.29 58.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.206 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -35.24 80.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.36 -28.09 41.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.4 mt -79.97 -49.5 19.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.69 -25.55 51.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.854 -0.689 . . . . 0.0 113.087 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 20' ' ' VAL . 8.2 t -79.6 -39.86 30.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.72 0.295 . . . . 0.0 111.133 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.417 ' N ' HG23 ' A' ' 19' ' ' THR . 11.6 p -80.08 -38.68 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.283 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.4 t -56.29 -31.11 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -30.94 48.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.8 t -79.81 -49.65 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.864 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mp -117.07 72.92 6.43 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.021 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.13 -28.77 23.08 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.49 2.127 . . . . 0.0 111.958 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.7 t -83.74 -34.46 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.683 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -60.33 -47.33 86.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.728 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.95 -31.47 2.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.35 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -56.81 -30.88 64.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mt -80.03 -42.21 21.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.02 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -69.39 -39.38 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.434 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 1.3 tt0 -60.02 -42.38 94.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.11 -22.61 52.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.71 -49.99 41.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.972 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.434 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.7 p90 -62.94 -38.56 91.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.788 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -31.5 59.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -69.29 -43.8 73.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.87 -13.37 62.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.518 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.88 -28.64 55.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.701 0.286 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.05 -30.74 39.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -17.67 59.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.396 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -50.67 -26.67 5.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.225 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m 62.94 162.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.09 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -166.03 37.61 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.973 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.81 -72.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -117.04 98.71 6.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.6 p -132.8 112.26 11.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.5 57.53 4.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -92.66 100.45 12.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -141.18 153.77 45.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -59.82 155.03 17.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -114.3 94.65 36.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.978 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.49 67.25 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.696 2.264 . . . . 0.0 112.222 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.17 123.63 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.5 mm -130.19 -43.65 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.265 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -112.28 -62.82 1.51 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -108.74 -178.64 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.996 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.6 m -114.09 146.54 40.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 t -154.95 34.61 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -131.93 83.19 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.43 -169.36 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.29 134.92 51.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -143.86 31.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 m -100.91 -62.77 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -171.37 120.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -92.85 129.9 38.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.5 mt . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.161 179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . 0.404 ' O ' ' N ' ' B' ' 71' ' ' MET . 1.9 m-70 61.23 111.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.67 0.272 . . . . 0.0 110.937 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 34.27 -91.16 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.146 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' MET . . . . . 0.404 ' N ' ' O ' ' B' ' 69' ' ' HIS . 8.7 tpp 62.11 76.81 0.35 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.86 0.362 . . . . 0.0 110.792 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.1 t -109.37 102.7 11.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.6 tttt 61.36 109.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.997 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 mt -159.59 29.16 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.411 ' CE1' ' HG3' ' B' ' 102' ' ' GLU . 71.2 t80 -129.39 -43.54 1.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mp -87.41 8.71 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.497 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.5 -30.65 12.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 110.688 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -91.77 -56.61 3.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.81 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.494 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 2.0 pp -55.52 170.6 0.39 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 84.0 Cg_exo -47.03 93.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.435 2.09 . . . . 0.0 112.412 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -54.77 -27.97 45.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.176 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 4.2 m -57.34 -42.93 82.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.923 0.392 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.99 -28.4 39.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 74.7 m -49.36 -27.5 4.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.256 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -49.98 75.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.08 -25.24 40.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 34.2 mt -79.1 -38.48 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.17 -25.46 68.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.711 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.405 HG23 ' N ' ' B' ' 90' ' ' VAL . 6.9 t -79.98 -37.41 34.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.73 0.3 . . . . 0.0 111.041 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.405 ' N ' HG23 ' B' ' 89' ' ' THR . 12.6 p -80.18 -40.98 20.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.272 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 89.8 t -56.68 -30.18 31.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -53.86 -31.53 49.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.58 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 55.7 t -80.2 -49.8 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.9 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 mp -116.13 69.1 3.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.27 -25.83 18.23 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.461 2.107 . . . . 0.0 112.004 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.2 p -84.62 -31.94 23.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' SER . . . . . . . . . . . . . 13.2 t -66.37 -43.25 86.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.783 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.5 -32.9 5.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.326 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.47 -42.9 83.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.945 0.402 . . . . 0.0 111.01 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mt -62.53 -37.62 79.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.004 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -78.85 -31.68 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.423 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 6.5 tt0 -60.47 -48.78 80.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.78 -23.52 60.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.84 -47.33 63.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' B' ' 106' ' ' LYS . 1.4 p90 -69.01 -46.57 67.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.879 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . 0.453 ' N ' ' CD1' ' B' ' 105' ' ' TYR . 4.7 tttp -60.26 -35.48 75.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.793 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -66.79 -50.13 63.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.57 -25.68 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.235 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 77.5 mt -77.65 -30.32 52.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -76.38 -36.2 58.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.095 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -77.77 -27.84 50.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -30.53 64.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.36 71.06 1.0 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.812 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -113.04 -34.48 5.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -136.13 166.99 22.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.95 164.5 33.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 90.0 p -174.13 126.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -151.47 94.69 2.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 60.53 49.27 6.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.028 0.442 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.88 140.63 32.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.796 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -139.1 -176.2 4.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt 62.53 64.51 1.66 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.19 150.22 49.99 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.563 2.175 . . . . 0.0 112.29 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.99 150.28 48.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 2.5 mt -77.55 145.11 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.013 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -97.68 143.21 28.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -110.48 173.75 6.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.752 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.69 38.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.81 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 3.7 t 63.89 138.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -151.35 116.25 5.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 tp -146.84 88.72 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.99 172.71 9.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.7 tptm 60.75 91.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.83 91.28 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.42 124.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . 0.5 ' O ' ' CG2' ' B' ' 137' ' ' ILE . 9.5 mt-10 -144.38 -47.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' B' ' 136' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.94 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -140.54 144.18 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.9 ttt -93.57 -44.28 8.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.06 179.82 6.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -139.8 118.32 12.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -96.84 118.93 34.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.68 168.75 18.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.805 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 6' ' ' LEU . 27.1 p90 -60.86 -43.02 98.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.824 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.446 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 0.7 OUTLIER -69.15 -18.9 63.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.98 -31.51 68.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -83.14 -28.52 29.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.01 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.6 mt -55.92 160.91 3.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.989 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.43 140.46 53.58 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.698 2.265 . . . . 0.0 112.286 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.73 -29.08 64.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -50.1 69.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mt -80.18 -41.34 25.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.026 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.2 p -55.05 -27.79 47.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.319 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -42.98 56.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.028 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -68.8 -30.91 69.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.022 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.1 mt -78.72 -49.7 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.72 -29.56 58.4 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.94 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.9 t -73.55 -38.64 65.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 111.13 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.3 p -79.86 -32.56 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.05 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' CG1' ' CD1' ' A' ' 28' ' ' LEU . 60.5 t -62.06 -31.5 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.639 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -28.44 35.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.0 t -79.82 -47.03 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.962 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' CD1' ' HB2' ' A' ' 27' ' ' SER . 2.8 mm? -121.36 67.85 19.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.19 -22.33 72.67 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.39 2.06 . . . . 0.0 111.398 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.6 t -83.96 -40.73 18.13 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.592 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.402 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 5.9 t -60.5 -40.75 92.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.878 0.371 . . . . 0.0 110.544 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' CD1' ' CG1' ' A' ' 21' ' ' VAL . 0.3 OUTLIER -46.19 -36.91 6.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.348 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.02 -50.0 70.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.6 mt -59.07 -50.11 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -60.8 -32.86 72.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.415 ' HG3' ' CD2' ' A' ' 5' ' ' PHE . 15.1 tt0 -57.21 -50.11 73.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.93 -33.16 65.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -40.74 83.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.368 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -42.01 72.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.412 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.64 -26.31 57.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -58.67 -49.77 76.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.4 42.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.362 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.1 mt -80.08 -28.64 39.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.04 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.98 -28.03 39.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.464 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -55.13 -33.04 62.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.845 0.355 . . . . 0.0 111.201 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.91 -28.29 66.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.981 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.3 m -69.37 -76.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -110.94 -22.37 11.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t0 68.07 31.16 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.757 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 59.13 93.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -135.22 -46.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -169.96 135.29 1.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -139.99 109.51 6.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.21 154.14 35.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.2 mttt 60.5 99.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.821 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -84.73 149.86 54.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.99 89.91 1.2 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.87 178.84 7.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 mm -82.67 113.58 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.18 132.87 53.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.797 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.47 126.89 1.65 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.2 p -146.2 119.15 8.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.94 175.85 9.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.46 154.94 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.28 -27.55 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.4 109.89 0.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.076 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -110.83 36.49 3.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 49.1 p -118.06 125.61 50.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -108.92 164.51 12.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.777 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -137.93 32.49 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.0 pt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.167 -0.921 . . . . 0.0 111.169 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.626 -0.19 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.6 114.36 21.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.89 111.38 14.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -93.19 174.83 7.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.45 126.28 28.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -73.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.95 37.75 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -157.8 -53.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mp -95.21 20.1 9.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -115.21 -34.86 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.916 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -77.54 -67.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.472 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 1.9 pp -52.8 171.4 0.22 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.711 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 88.6 Cg_exo -48.25 90.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.509 2.139 . . . . 0.0 112.254 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -56.79 -27.19 59.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.078 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -60.25 -50.15 74.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.702 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.408 ' CD2' ' HB2' ' B' ' 80' ' ' PRO . 1.2 pp -80.2 -30.16 38.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.79 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -25.9 43.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.765 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -58.02 -43.71 86.9 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.822 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -35.69 81.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.703 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 38.5 mt -69.65 -33.17 55.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.775 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.77 -42.58 99.52 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.451 HG22 ' N ' ' B' ' 90' ' ' VAL . 14.0 t -64.07 -31.66 72.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.77 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.451 ' N ' HG22 ' B' ' 89' ' ' THR . 23.6 t -80.19 -46.6 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.042 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.46 -29.5 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -55.78 -31.41 62.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.749 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 43.1 t -79.96 -35.42 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.024 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.424 ' HB3' ' HB3' ' B' ' 97' ' ' SER . 1.0 OUTLIER -136.53 65.07 54.22 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.198 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.47 -28.35 38.74 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.573 2.182 . . . . 0.0 111.747 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 9.8 p -78.69 -38.48 39.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' SER . . . . . 0.424 ' HB3' ' HB3' ' B' ' 94' ' ' LEU . 39.9 t -66.21 -31.08 71.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.749 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.97 -31.63 68.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.03 -30.68 70.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.78 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 46.5 mt -69.23 -47.49 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -66.95 -27.34 67.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.444 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 43.3 tt0 -56.62 -49.84 73.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.726 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -72.03 -21.82 61.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.783 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 2.3 tt -71.12 -50.03 37.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.7 p90 -64.22 -37.12 86.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.777 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -62.21 -31.99 72.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -59.97 -48.42 81.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.87 -29.06 63.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.43 -45.6 84.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.932 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -74.49 -30.41 61.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.0 -27.78 65.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -55.9 -23.14 29.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.238 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 30.1 t -55.05 -29.73 58.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.047 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -173.14 151.43 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -131.88 175.5 9.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.32 109.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 1.3 m -174.4 -41.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.87 152.99 22.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -66.2 137.58 57.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 111.06 22.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.976 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 17.0 mttp 61.13 -178.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? 60.67 66.26 1.86 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -57.7 84.79 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.613 2.208 . . . . 0.0 112.212 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.95 102.83 4.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 2.4 tt -170.76 63.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.25 -66.52 0.95 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -161.66 -169.94 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 64.28 95.2 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 1.3 p -120.14 32.0 6.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.64 153.96 20.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 12.1 mt 60.21 172.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.25 31.13 20.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -160.61 30.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 7.2 t -138.96 -47.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -131.12 38.96 3.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -137.14 92.35 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.992 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.575 -0.21 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -109.67 31.5 5.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.865 0.364 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -127.55 -64.62 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtt -67.0 -174.05 0.3 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m 62.52 32.08 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -127.73 -176.55 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 mp 62.99 57.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -103.12 -42.41 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.734 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.14 -31.03 69.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.31 -35.53 76.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -59.28 -59.03 6.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.773 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.83 160.8 66.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.796 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -48.06 170.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.574 2.183 . . . . 0.0 112.524 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -84.11 -38.43 20.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t -58.76 -41.7 87.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.24 -36.51 58.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.2 t -57.17 -32.82 66.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -35.77 80.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.1 -32.28 39.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.019 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.7 mt -76.0 -49.17 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.052 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.48 -28.95 52.48 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.695 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -79.98 -33.18 39.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.3 t -80.03 -36.76 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.002 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.401 ' CG1' HD23 ' A' ' 28' ' ' LEU . 47.3 t -54.5 -34.96 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -29.89 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.61 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -80.15 -31.3 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.251 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 4.2 mt -147.58 69.41 11.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 111.657 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -61.86 -19.24 64.96 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.311 2.007 . . . . 0.0 111.085 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -89.98 -43.63 10.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.027 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.433 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 5.4 t -55.35 -42.44 73.85 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-O 120.864 0.364 . . . . 0.0 110.592 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.401 HD23 ' CG1' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -59.71 -31.69 69.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.679 179.735 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.39 -47.41 79.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 mt -57.17 -48.68 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 38.5 m-85 -62.68 -28.03 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -58.74 -44.55 90.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -80.18 -24.21 40.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.032 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.09 -50.14 10.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.156 -179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -35.07 71.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.753 0.311 . . . . 0.0 110.711 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -29.98 39.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -69.26 -50.09 50.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.16 -25.3 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.377 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.2 mt -58.31 -35.34 71.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.08 -28.35 39.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.097 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.39 -25.05 48.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.251 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -56.33 -31.41 63.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 111.065 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.5 p -85.98 155.0 21.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -161.97 31.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.47 153.9 41.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 61.76 150.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.9 p -176.82 -50.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -89.67 162.62 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -109.46 -178.55 3.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.82 95.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.48 156.36 16.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER 177.66 -59.35 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 42.9 Cg_endo -67.34 111.59 2.33 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.351 2.034 . . . . 0.0 112.328 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.35 53.34 1.95 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.8 mm 51.53 82.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.231 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -161.61 145.11 12.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -99.64 31.43 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.8 t -138.41 69.58 1.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 77.3 p -174.59 39.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.79 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.4 130.18 36.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.51 140.34 41.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.92 128.59 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -120.55 -56.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.56 145.99 50.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.819 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.61 127.51 36.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -142.06 -69.47 0.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.435 -0.793 . . . . 0.0 111.564 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -153.71 141.56 20.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.04 111.46 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.16 113.75 25.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.6 147.47 47.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.16 131.83 47.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -98.48 29.41 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.412 ' CE2' ' HG2' ' B' ' 102' ' ' GLU . 89.1 t80 -104.17 -32.02 9.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 mp -98.15 30.67 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.75 10.5 4.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -128.02 -57.33 1.25 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 0.0 110.789 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.457 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 0.2 OUTLIER -47.85 165.64 0.22 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.729 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 93.3 Cg_exo -42.67 94.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.578 2.185 . . . . 0.0 112.37 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -28.87 2.53 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.336 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -59.39 -45.11 92.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.913 0.387 . . . . 0.0 110.725 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.16 -35.75 36.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.755 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 28.3 p -53.97 -27.66 32.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -58.56 -43.72 89.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.13 -34.45 43.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.805 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 54.8 mt -66.34 -50.27 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.803 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.68 -26.35 57.22 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.263 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.89 -35.59 37.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.961 0.41 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.16 -29.31 12.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.381 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 59.9 t -55.07 -31.22 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.155 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -54.54 -36.66 64.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.759 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 40.9 t -80.03 -46.28 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.984 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' B' ' 97' ' ' SER . 5.9 mp -125.58 74.13 69.21 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.24 -29.19 14.51 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.538 2.159 . . . . 0.0 111.952 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.7 m -84.22 -34.33 23.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.773 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' B' ' 94' ' ' LEU . 1.7 t -60.19 -43.43 95.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.798 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -28.98 67.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.681 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.48 -47.86 82.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.025 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.71 -50.03 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.236 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 33.1 m-85 -59.8 -32.89 71.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 87.3 mt-10 -63.91 -39.62 94.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.687 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.13 -24.41 40.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.26 -50.05 62.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.442 ' CZ ' ' CG ' ' B' ' 106' ' ' LYS . 0.8 OUTLIER -62.97 -34.66 77.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.743 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . 0.442 ' CG ' ' CZ ' ' B' ' 105' ' ' TYR . 7.3 mtpm? -76.78 -32.64 57.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.628 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -73.66 -47.28 41.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.634 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.99 -13.11 61.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.429 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 mt -75.67 -31.15 59.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.766 0.317 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -80.06 -40.97 26.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.046 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -27.38 65.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -56.77 -26.78 58.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.049 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 2.3 m 62.68 146.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -114.7 -35.11 4.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -114.73 -69.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.2 174.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.77 159.76 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -130.13 64.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -68.24 103.64 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -87.74 -67.12 0.85 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 8.9 tttp 61.13 156.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -99.75 150.42 36.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.23 62.75 3.44 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.567 2.178 . . . . 0.0 112.337 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -146.89 110.42 4.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 3.8 mp -132.81 -45.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.254 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -120.19 -42.43 2.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -94.48 96.86 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.6 p -141.44 134.33 28.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.18 120.94 37.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -105.1 -31.32 9.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 1.5 mp -113.79 173.51 6.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 11.0 mt 60.42 177.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? 60.67 41.68 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 25.0 p -103.43 -31.65 9.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -149.12 39.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -143.43 118.2 9.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.075 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.83 0.347 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.9 m -58.77 -40.32 83.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.643 HD22 HD11 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -80.0 -45.0 19.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.7 p -58.39 -25.54 62.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.099 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -50.05 16.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.018 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.446 ' O ' HG22 ' A' ' 19' ' ' THR . 0.0 OUTLIER -67.79 -29.06 68.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.078 -179.773 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.81 ' O ' HG23 ' A' ' 21' ' ' VAL . 17.5 mt -80.02 -48.91 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.065 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.15 -26.57 58.84 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.93 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 16' ' ' LYS . 9.9 t -78.59 -39.35 37.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.837 0.351 . . . . 0.0 111.177 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.479 HG21 ' OG ' ' B' ' 97' ' ' SER . 11.5 p -80.13 -36.75 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 17' ' ' ILE . 93.4 t -57.4 -35.57 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.89 -32.95 15.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.554 ' O ' HD22 ' A' ' 24' ' ' LEU . 42.7 t -80.19 -44.11 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.104 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.855 HD12 ' HB2' ' A' ' 27' ' ' SER . 3.6 mm? -123.11 74.96 50.02 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.32 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.86 -10.39 28.36 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.524 2.149 . . . . 0.0 111.893 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -102.27 -32.25 10.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.855 ' HB2' HD12 ' A' ' 24' ' ' LEU . 5.4 t -67.25 -48.95 66.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.828 0.347 . . . . 0.0 110.715 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.928 HD13 ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -57.96 -19.66 32.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.241 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.928 ' N ' HD13 ' A' ' 28' ' ' LEU . 4.3 tm-20 -69.38 -41.68 76.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 110.668 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.481 HG21 HG12 ' B' ' 87' ' ' ILE . 10.8 mt -66.53 -47.49 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.49 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 20.3 m-85 -62.9 -29.94 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 15.8 tt0 -58.78 -39.7 81.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.604 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.1 -24.9 40.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.753 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.28 -50.02 61.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.042 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -63.42 -33.34 75.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.849 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.428 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 12.3 mttm -70.15 -32.09 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.774 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -60.07 -49.52 77.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.79 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.08 -29.12 66.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.786 0.327 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.686 ' HA ' HD12 ' B' ' 87' ' ' ILE . 3.8 m -49.94 -28.14 6.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.317 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -59.14 -44.5 92.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.708 ' O ' HG22 ' B' ' 89' ' ' THR . 0.8 OUTLIER -80.05 -29.9 39.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.018 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.925 ' O ' HG23 ' B' ' 91' ' ' VAL . 64.7 mt -63.21 -50.15 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.863 0.363 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -49.3 -48.3 33.5 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.957 -0.639 . . . . 0.0 113.08 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.708 HG22 ' O ' ' B' ' 86' ' ' LYS . 14.2 t -62.24 -32.47 73.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.687 0.28 . . . . 0.0 111.081 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.652 HG23 ' O ' ' B' ' 86' ' ' LYS . 25.6 t -80.39 -40.09 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 87' ' ' ILE . 21.4 t -52.73 -31.9 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.389 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.63 -35.69 68.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.026 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.16 -46.46 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.449 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' B' ' 97' ' ' SER . 4.2 mm? -115.67 75.65 5.27 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.529 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.73 -19.68 20.92 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.483 2.122 . . . . 0.0 111.842 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 75.1 p -93.95 -37.4 11.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.958 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.843 ' HB2' HD12 ' B' ' 94' ' ' LEU . 2.7 t -56.92 -50.01 73.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.657 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.436 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -51.82 -33.8 37.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -31.47 69.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 42.7 mt -72.68 -50.13 36.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.49 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 47.9 m-85 -62.43 -30.11 71.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.441 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 6.9 tt0 -60.63 -42.29 96.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.541 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.05 -23.27 52.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.622 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.53 -50.14 47.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.5 p90 -62.59 -35.17 78.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.759 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.48 ' HA ' HD12 ' B' ' 109' ' ' LEU . 0.2 OUTLIER -72.7 -31.85 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.762 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -66.85 -50.12 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.809 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.05 -31.04 68.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' B' ' 106' ' ' LYS . 1.4 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 m -59.95 -50.0 75.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.09 -30.88 67.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.35 -25.61 49.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -43.24 66.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.551 ' O ' HG22 ' A' ' 19' ' ' THR . 0.1 OUTLIER -76.67 -33.28 58.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.983 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.728 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.8 mt -77.29 -33.26 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.979 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.77 -31.66 73.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.823 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 16' ' ' LYS . 5.8 t -70.97 -38.09 72.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.733 0.301 . . . . 0.0 111.012 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 21' ' ' VAL . 12.4 p -80.36 -44.97 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.238 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.815 HG13 HD22 ' A' ' 28' ' ' LEU . 97.2 t -59.94 -34.82 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.212 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -51.99 -29.29 20.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.811 0.338 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.433 ' O ' HD22 ' A' ' 24' ' ' LEU . 30.1 t -80.04 -42.51 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.065 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.88 HD12 ' HB2' ' A' ' 27' ' ' SER . 4.0 mm? -119.47 75.7 17.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.459 ' HA ' ' CD2' ' A' ' 28' ' ' LEU . 60.1 Cg_endo -72.19 -7.11 20.39 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.556 2.171 . . . . 0.0 112.085 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.65 -27.46 9.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.071 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.88 ' HB2' HD12 ' A' ' 24' ' ' LEU . 3.8 t -70.62 -49.51 46.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.633 0.254 . . . . 0.0 111.138 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.815 HD22 HG13 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -46.1 -29.52 1.55 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 -179.693 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -59.06 -47.71 84.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 27' ' ' SER . 3.2 mt -59.81 -35.34 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.772 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -72.28 -31.87 66.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.03 -31.8 70.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.517 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.68 -50.15 53.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.527 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 35' ' ' TYR . 4.1 pp -72.74 -26.76 61.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.503 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.66 ' N ' HD12 ' A' ' 34' ' ' LEU . 1.3 t80 -70.48 -46.56 63.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.463 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -80.08 -36.67 35.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -59.87 -50.13 74.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.6 -28.98 66.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.228 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.917 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.786 0.327 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.6 ' HA ' HD12 ' B' ' 87' ' ' ILE . 35.2 t -47.7 -29.02 2.72 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.282 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -57.3 -43.8 83.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.443 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -80.18 -15.52 56.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.311 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.873 ' O ' HG23 ' B' ' 91' ' ' VAL . 31.7 mt -79.81 -49.95 18.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.88 0.371 . . . . 0.0 111.352 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.08 -25.32 38.5 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.958 -0.639 . . . . 0.0 113.018 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.443 HG22 ' O ' ' B' ' 86' ' ' LYS . 5.8 t -80.09 -39.8 28.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.705 0.288 . . . . 0.0 111.309 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.507 HG21 ' OG ' ' A' ' 27' ' ' SER . 13.8 p -80.17 -38.37 18.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.383 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.873 HG23 ' O ' ' B' ' 87' ' ' ILE . 47.6 t -55.95 -29.67 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.153 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -34.86 62.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.675 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 45.9 t -80.03 -45.0 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.909 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.812 HD23 ' CB ' ' B' ' 97' ' ' SER . 3.0 mp -116.34 70.43 4.3 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.01 -3.54 13.98 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.597 2.198 . . . . 0.0 112.479 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.15 -33.9 6.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 0.0 111.024 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.812 ' CB ' HD23 ' B' ' 94' ' ' LEU . 8.6 t -68.94 -37.96 79.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.947 HD13 ' N ' ' B' ' 99' ' ' GLU . 0.0 OUTLIER -59.03 -19.24 41.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.947 ' N ' HD13 ' B' ' 98' ' ' LEU . 0.7 OUTLIER -71.71 -31.13 66.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.831 0.348 . . . . 0.0 110.847 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 44.8 mt -70.99 -37.03 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.993 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -73.74 -31.47 63.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 0.6 OUTLIER -60.3 -49.95 75.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.639 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -70.56 -25.79 63.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.514 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -50.06 65.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.2 p90 -65.72 -29.68 70.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.723 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.705 ' HA ' HD12 ' B' ' 109' ' ' LEU . 0.1 OUTLIER -78.3 -33.4 49.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -64.39 -50.18 68.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.776 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.53 -23.36 62.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.319 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' B' ' 106' ' ' LYS . 17.5 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -39.83 81.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.02 -47.02 21.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.4 t -52.08 -26.55 11.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.226 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -70.05 -44.12 69.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.75 ' O ' HG22 ' A' ' 19' ' ' THR . 0.0 OUTLIER -79.97 -43.13 22.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.8 mt -64.71 -30.1 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.5 -46.61 93.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.827 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.75 HG22 ' O ' ' A' ' 16' ' ' LYS . 10.6 t -60.57 -31.56 70.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.825 0.345 . . . . 0.0 111.083 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.9 t -80.33 -45.53 22.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.214 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 17' ' ' ILE . 61.7 t -55.84 -31.77 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -31.28 50.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.792 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.3 t -80.12 -49.99 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.001 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.693 HD23 ' CB ' ' A' ' 27' ' ' SER . 1.6 mp -110.95 74.82 1.01 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.309 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.519 ' HA ' HD23 ' A' ' 28' ' ' LEU . 73.0 Cg_endo -75.9 -8.58 19.12 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.48 2.12 . . . . 0.0 112.33 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.2 p -108.73 -37.04 6.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.039 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.693 ' CB ' HD23 ' A' ' 24' ' ' LEU . 14.9 t -61.99 -34.94 77.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.731 HD22 HG13 ' A' ' 21' ' ' VAL . 1.5 pp -58.94 -28.82 66.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.846 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -38.64 70.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.949 0.404 . . . . 0.0 110.631 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -72.53 -37.28 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.558 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -72.44 -38.44 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.681 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.443 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -61.94 -41.01 97.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.381 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -31.25 58.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.429 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 34' ' ' LEU . 2.9 tt -60.15 -50.02 75.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.605 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -70.77 -25.34 62.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.939 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -69.48 -50.12 48.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.281 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.424 ' CE2' ' HA ' ' A' ' 34' ' ' LEU . 1.3 p90 -70.46 -30.58 67.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.817 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.89 -30.9 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.019 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.415 HD21 ' HB1' ' B' ' 108' ' ' ALA . 4.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.796 0.332 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.4 p -55.95 -28.81 58.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.007 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -37.26 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.603 ' O ' HG22 ' B' ' 89' ' ' THR . 25.7 mtpt -80.09 -30.8 39.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.885 ' O ' HG23 ' B' ' 91' ' ' VAL . 41.7 mt -70.49 -37.37 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.92 -48.03 87.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.798 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.603 HG22 ' O ' ' B' ' 86' ' ' LYS . 11.8 t -59.87 -31.76 70.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.657 0.265 . . . . 0.0 111.12 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 86' ' ' LYS . 38.5 t -80.08 -43.85 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.022 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 1.015 HG11 HD12 ' B' ' 98' ' ' LEU . 49.5 t -58.58 -31.06 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -52.8 -32.05 41.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.058 0.456 . . . . 0.0 110.709 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.568 ' O ' HD22 ' B' ' 94' ' ' LEU . 49.0 t -80.1 -37.6 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.041 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.847 HD12 ' HB2' ' B' ' 97' ' ' SER . 4.0 mm? -123.71 71.63 50.14 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.32 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.94 -15.27 43.31 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.411 2.074 . . . . 0.0 111.832 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.6 p -96.21 -38.42 10.14 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.847 ' HB2' HD12 ' B' ' 94' ' ' LEU . 4.4 t -59.06 -46.73 87.53 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.919 0.39 . . . . 0.0 110.8 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 1.015 HD12 HG11 ' B' ' 91' ' ' VAL . 0.2 OUTLIER -45.19 -39.53 6.32 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.428 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -54.6 -48.09 72.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.065 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' B' ' 97' ' ' SER . 2.3 mp -63.87 -36.39 76.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -73.11 -29.4 62.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.969 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 3.5 mt-10 -57.42 -41.99 81.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -79.02 -25.96 43.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 tt -66.5 -49.93 64.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.9 OUTLIER -68.3 -32.16 72.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.41 -31.3 63.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -58.52 -49.34 77.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.415 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -64.08 -28.84 70.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.79 0.328 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.8 p -57.67 -47.31 82.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.055 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.98 -35.12 37.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.9 t -53.02 -27.33 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.256 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -44.62 90.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.179 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.742 ' O ' HG23 ' A' ' 20' ' ' VAL . 24.1 mttt -79.96 -42.63 23.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.728 ' O ' HG23 ' A' ' 21' ' ' VAL . 68.5 mt -59.61 -47.13 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.076 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.27 -26.19 69.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.664 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.02 -29.04 39.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.744 0.307 . . . . 0.0 111.319 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 16' ' ' LYS . 20.1 t -80.06 -30.1 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.588 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.861 HG22 ' CD1' ' A' ' 28' ' ' LEU . 22.0 t -53.46 -33.35 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.231 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -56.29 -28.16 57.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.879 HG12 HD21 ' B' ' 94' ' ' LEU . 23.6 t -79.99 -30.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.77 HD12 ' HB2' ' B' ' 94' ' ' LEU . 2.8 mt -145.49 69.53 13.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.187 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.05 -8.9 24.58 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.304 2.003 . . . . 0.0 111.724 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.49 -35.28 9.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.698 ' CB ' HD13 ' A' ' 24' ' ' LEU . 41.6 t -67.64 -41.35 84.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.861 0.362 . . . . 0.0 110.815 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.861 ' CD1' HG22 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -52.88 -28.72 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -60.25 -29.16 68.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.4 mt -79.48 -44.8 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.209 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 16.6 m-85 -64.78 -45.13 87.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.057 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 22.4 pt-20 -58.52 -41.65 85.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -76.67 -25.7 54.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.012 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 34' ' ' LEU . 4.5 tt -68.23 -50.03 56.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.455 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.2 p90 -66.67 -41.53 87.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.443 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -61.56 -36.22 80.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -66.91 -50.03 63.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.8 -23.71 66.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.386 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.5 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.16 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.741 0.305 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.645 ' HA ' HD12 ' B' ' 87' ' ' ILE . 0.4 OUTLIER -49.45 -28.44 5.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -45.3 93.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.738 ' O ' HG22 ' B' ' 89' ' ' THR . 7.3 mtpt -80.04 -30.24 39.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.892 ' O ' HG23 ' B' ' 91' ' ' VAL . 34.1 mt -67.26 -44.7 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.18 -45.07 57.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.818 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.738 HG22 ' O ' ' B' ' 86' ' ' LYS . 14.6 t -64.45 -30.94 71.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.602 HG23 ' O ' ' B' ' 86' ' ' LYS . 24.9 t -80.22 -38.41 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.228 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 87' ' ' ILE . 20.2 t -55.21 -38.83 48.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.348 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -27.63 10.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.432 HG12 ' CD2' ' B' ' 94' ' ' LEU . 17.8 t -80.0 -49.94 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.879 HD21 HG12 ' A' ' 23' ' ' VAL . 4.2 mm? -120.56 72.97 21.71 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.6 -10.58 28.19 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.439 2.093 . . . . 0.0 112.237 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.7 p -104.16 -31.45 9.62 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.07 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.839 ' HB2' HD12 ' B' ' 94' ' ' LEU . 4.0 t -67.3 -43.5 81.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.582 HD12 HG22 ' B' ' 91' ' ' VAL . 0.6 OUTLIER -53.68 -27.31 26.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.204 -179.766 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.09 -35.72 73.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.776 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.596 HG21 HG12 ' A' ' 17' ' ' ILE . 34.5 mt -80.08 -33.93 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 25.1 m-85 -75.56 -42.86 51.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.431 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 12.3 pt-20 -55.95 -41.48 74.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.766 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -78.67 -17.6 55.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.444 ' O ' HD23 ' B' ' 104' ' ' LEU . 1.4 tt -75.7 -50.15 16.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.088 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.431 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 2.2 p90 -61.32 -39.39 90.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.894 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.411 ' N ' ' CD1' ' B' ' 105' ' ' TYR . 0.8 OUTLIER -68.69 -31.4 70.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.787 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -60.41 -50.04 75.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.18 63.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.806 0.336 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -49.1 78.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.35 -44.08 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.6 m -50.09 -27.39 5.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.274 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.1 mtp85 -69.44 -48.21 61.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.706 ' O ' HG23 ' A' ' 20' ' ' VAL . 87.4 mttt -73.69 -40.04 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.906 ' O ' HG23 ' A' ' 21' ' ' VAL . 65.7 mt -64.65 -50.18 76.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.798 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.72 -25.97 56.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.425 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -34.67 37.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.675 0.274 . . . . 0.0 111.124 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 16' ' ' LYS . 23.3 t -80.04 -32.2 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.59 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 17' ' ' ILE . 42.3 t -50.14 -39.05 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.813 0.34 . . . . 0.0 111.265 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.57 -28.36 8.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.921 HG12 HD11 ' B' ' 94' ' ' LEU . 25.9 t -80.1 -32.87 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.825 HD13 ' CB ' ' A' ' 27' ' ' SER . 3.6 mt -144.32 70.85 16.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.408 . . . . 0.0 111.444 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.83 -12.65 35.04 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.257 1.972 . . . . 0.0 111.488 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 p -96.81 -40.55 8.88 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.033 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.825 ' CB ' HD13 ' A' ' 24' ' ' LEU . 13.3 t -59.93 -42.39 93.88 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.808 0.337 . . . . 0.0 110.705 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.569 HD12 HG22 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -54.07 -34.46 60.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.16 -27.01 65.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.449 HG21 HG12 ' B' ' 87' ' ' ILE . 40.1 mt -73.28 -50.11 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.205 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -59.97 -34.3 73.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -57.2 -50.16 73.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.824 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -41.73 95.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.665 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mt -65.77 -46.86 77.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.578 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -35.33 79.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.677 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -79.95 -32.62 39.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.837 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -66.62 -49.16 67.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.48 -21.08 35.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.541 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.1 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.02 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.792 0.33 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 31.3 m -51.03 -27.26 7.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.268 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -58.97 -41.99 88.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.741 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -80.17 -30.2 38.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.856 ' O ' HG23 ' B' ' 91' ' ' VAL . 32.1 mt -69.28 -37.16 75.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.019 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.27 -42.05 95.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.728 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.741 HG22 ' O ' ' B' ' 86' ' ' LYS . 13.3 t -66.31 -28.75 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.761 0.315 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 86' ' ' LYS . 21.5 t -80.06 -35.11 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.258 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.856 HG23 ' O ' ' B' ' 87' ' ' ILE . 21.7 t -58.31 -32.43 44.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -56.76 -30.34 63.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.109 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.605 ' O ' HD12 ' B' ' 94' ' ' LEU . 20.6 t -79.99 -38.23 18.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.305 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.921 HD11 HG12 ' A' ' 23' ' ' VAL . 6.6 mp -134.3 70.35 73.18 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.26 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.45 -23.96 27.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.494 2.129 . . . . 0.0 111.959 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.8 m -86.91 -31.77 20.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.823 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.622 ' CB ' HD23 ' B' ' 94' ' ' LEU . 3.8 t -66.08 -46.79 76.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.749 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.411 HD12 HG22 ' B' ' 91' ' ' VAL . 0.6 OUTLIER -49.97 -30.0 9.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.307 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.69 -48.02 78.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.68 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' B' ' 97' ' ' SER . 2.1 mp -63.69 -39.79 86.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.419 ' CZ ' ' HG ' ' A' ' 28' ' ' LEU . 30.3 m-85 -72.64 -28.38 62.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.933 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -54.69 -44.0 73.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 0.0 110.741 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -23.4 41.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.733 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.448 ' O ' HD23 ' B' ' 104' ' ' LEU . 1.2 tt -70.31 -50.27 41.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.107 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.38 -31.84 71.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.703 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -80.09 -31.98 39.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.671 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -60.63 -50.06 75.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.746 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.37 -21.35 49.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.268 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.013 -179.899 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.778 0.323 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 m -77.78 -33.34 52.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -30.27 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.97 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -28.15 40.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.164 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -74.15 -35.81 64.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' O ' HG22 ' A' ' 19' ' ' THR . 12.2 mtmm -80.01 -29.48 39.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.931 ' O ' HG23 ' A' ' 21' ' ' VAL . 28.9 mt -79.95 -48.28 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.35 -25.15 62.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.988 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 16' ' ' LYS . 10.2 t -79.97 -39.49 29.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.721 0.296 . . . . 0.0 111.352 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.617 HG21 ' OG ' ' B' ' 97' ' ' SER . 14.3 p -72.14 -31.22 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.203 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 17' ' ' ILE . 40.0 t -55.05 -30.92 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.745 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -27.99 62.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.728 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.588 HG12 HD22 ' A' ' 24' ' ' LEU . 46.7 t -78.09 -50.13 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.933 HD23 HD13 ' B' ' 94' ' ' LEU . 4.0 mm? -117.18 77.12 9.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.54 -8.24 22.21 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.564 2.176 . . . . 0.0 112.283 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -110.12 -31.76 7.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.017 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.761 ' HB2' HD12 ' A' ' 24' ' ' LEU . 1.7 t -64.86 -48.26 74.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.786 HD13 HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -47.46 -29.22 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.218 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -33.22 68.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.724 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.408 HG21 HG12 ' B' ' 87' ' ' ILE . 13.9 mt -80.24 -40.61 20.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.471 ' CE1' HD11 ' B' ' 98' ' ' LEU . 12.2 m-85 -69.4 -45.92 68.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.066 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.417 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -55.31 -38.68 69.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.786 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -80.03 -23.07 41.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.732 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.475 ' O ' HD23 ' A' ' 34' ' ' LEU . 1.5 tt -70.02 -50.07 45.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.417 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 1.6 p90 -66.81 -31.0 71.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.957 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -31.52 67.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -59.65 -50.08 75.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.65 -19.42 65.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.335 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 61.2 mt . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.836 0.351 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -54.82 -36.24 64.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.998 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -39.37 81.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.689 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.901 ' O ' HG22 ' B' ' 89' ' ' THR . 0.2 OUTLIER -79.99 -45.47 18.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.591 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.918 ' O ' HG23 ' B' ' 91' ' ' VAL . 34.4 mt -63.58 -33.4 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.707 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.44 -28.37 62.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.095 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.901 HG22 ' O ' ' B' ' 86' ' ' LYS . 9.7 t -80.07 -34.58 37.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.822 0.311 . . . . 0.0 111.471 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.424 HG12 ' O ' ' B' ' 87' ' ' ILE . 15.0 p -80.4 -36.28 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.752 0.31 . . . . 0.0 111.171 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 87' ' ' ILE . 61.2 t -57.81 -26.09 27.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.31 -43.37 83.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.987 0.422 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 47.3 t -80.25 -27.27 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.578 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.933 HD13 HD23 ' A' ' 24' ' ' LEU . 12.6 tp -129.49 55.54 19.02 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.249 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 95' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' B' ' 94' ' ' LEU . 88.7 Cg_endo -82.47 -2.66 11.15 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.696 2.264 . . . . 0.0 112.543 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 13.3 t -103.26 -36.86 7.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.242 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.617 ' OG ' HG21 ' A' ' 20' ' ' VAL . 3.6 t -66.71 -46.73 74.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.797 0.332 . . . . 0.0 111.019 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.471 HD11 ' CE1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -45.57 -29.66 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.465 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -57.64 -36.87 72.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.373 . . . . 0.0 110.787 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.554 HD12 ' O ' ' B' ' 97' ' ' SER . 3.0 mp -74.68 -33.82 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -73.96 -30.7 62.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.448 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -59.82 -49.41 77.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.572 179.831 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -19.47 61.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.91 -50.04 26.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.043 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.559 ' O ' HD12 ' B' ' 109' ' ' LEU . 1.7 p90 -62.11 -28.54 69.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.914 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.447 ' CG ' ' CE1' ' B' ' 105' ' ' TYR . 6.8 mtpm? -77.3 -32.27 55.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.823 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -67.47 -50.11 60.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.01 -29.9 69.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.061 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' LEU . . . . . 0.559 HD12 ' O ' ' B' ' 105' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.786 0.326 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 m -63.13 -43.01 99.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.651 HD23 ' HE2' ' A' ' 16' ' ' LYS . 6.1 mt -74.2 -50.08 20.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.023 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.432 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.4 t -49.46 -27.38 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.299 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -65.49 -42.34 92.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.061 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.651 ' HE2' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -80.01 -16.88 54.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.504 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.919 ' O ' HG23 ' A' ' 21' ' ' VAL . 70.4 mt -80.08 -49.92 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.84 -26.1 32.17 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.954 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 16' ' ' LYS . 6.6 t -80.03 -39.09 30.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.733 0.267 . . . . 0.0 111.441 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 17' ' ' ILE . 13.6 p -79.87 -30.45 13.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.772 0.32 . . . . 0.0 111.454 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.0 t -60.18 -33.96 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.757 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -58.27 -26.16 62.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 t -80.02 -34.77 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.841 HD13 ' CB ' ' A' ' 27' ' ' SER . 1.6 mt -137.22 66.25 52.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 0.0 111.208 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.66 -11.62 31.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.397 2.065 . . . . 0.0 111.834 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -40.9 8.52 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.841 ' CB ' HD13 ' A' ' 24' ' ' LEU . 1.8 t -61.41 -37.68 84.35 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.836 0.35 . . . . 0.0 110.645 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.764 HD13 HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -54.55 -28.72 47.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -58.81 -38.72 79.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.3 mt -69.27 -49.06 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -63.92 -29.7 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 25.0 tt0 -58.2 -41.63 84.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -79.98 -22.71 42.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 34' ' ' LEU . 2.7 tt -71.53 -46.85 58.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.185 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.44 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.6 p90 -70.51 -31.35 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.008 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.436 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 16.4 mtpt -76.26 -30.52 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.64 -50.1 70.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.43 71.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.161 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 35' ' ' TYR . 5.1 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.774 0.321 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.565 ' HA ' HD12 ' B' ' 87' ' ' ILE . 11.6 m -50.19 -28.43 7.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -44.17 95.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.472 ' O ' HG22 ' B' ' 89' ' ' THR . 4.6 mtmt -80.14 -21.92 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.178 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.817 ' O ' HG23 ' B' ' 91' ' ' VAL . 35.2 mt -80.02 -43.19 22.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.818 0.342 . . . . 0.0 111.175 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.83 -30.39 69.41 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.918 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.472 HG22 ' O ' ' B' ' 86' ' ' LYS . 8.9 t -75.65 -38.29 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.664 0.269 . . . . 0.0 111.148 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 11.0 p -79.98 -37.99 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.243 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.817 HG23 ' O ' ' B' ' 87' ' ' ILE . 92.5 t -58.24 -33.68 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -27.72 24.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.997 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.685 ' O ' HD22 ' B' ' 94' ' ' LEU . 40.3 t -79.86 -44.46 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.981 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.833 HD12 ' HB2' ' B' ' 97' ' ' SER . 4.3 mm? -127.84 72.14 78.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.279 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.42 -16.37 51.01 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.441 2.094 . . . . 0.0 111.901 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -37.84 9.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.833 ' HB2' HD12 ' B' ' 94' ' ' LEU . 1.6 t -61.72 -36.68 81.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.823 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.671 HD12 ' O ' ' B' ' 98' ' ' LEU . 1.1 tp -61.92 -36.0 80.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.699 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.33 -30.67 60.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.958 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 29.2 mt -70.8 -44.59 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.411 ' HZ ' HD11 ' A' ' 28' ' ' LEU . 12.5 m-85 -73.95 -31.73 63.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.433 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 65.2 tt0 -60.25 -43.85 95.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -80.04 -22.58 42.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.449 ' O ' HD23 ' B' ' 104' ' ' LEU . 1.1 tt -68.64 -49.93 55.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.175 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.5 OUTLIER -61.88 -40.64 96.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.939 -179.75 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -30.53 69.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -70.58 -50.07 41.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.07 -22.9 63.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.347 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.987 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.761 0.315 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.29 -48.33 82.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.8 mt -80.04 -39.8 29.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 t -50.2 -27.43 5.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -64.28 -48.42 75.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -43.17 22.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.792 ' O ' HG23 ' A' ' 21' ' ' VAL . 66.1 mt -59.73 -50.04 81.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.01 -27.52 64.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.62 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.13 -42.52 23.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.812 0.339 . . . . 0.0 111.268 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.541 HG21 ' HB2' ' B' ' 97' ' ' SER . 11.9 p -74.87 -45.03 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.461 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 17' ' ' ILE . 74.6 t -53.72 -27.67 15.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.133 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -56.97 -29.96 63.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.617 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.79 -50.1 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.955 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.068 HD13 HD13 ' B' ' 94' ' ' LEU . 1.4 mp -118.01 65.32 5.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.12 -26.56 30.49 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.646 2.23 . . . . 0.0 112.1 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 p -82.88 -37.45 24.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.81 ' CB ' HD23 ' A' ' 24' ' ' LEU . 4.1 t -68.5 -29.53 68.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.801 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.759 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -60.26 -30.34 69.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.614 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.25 -40.4 85.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.813 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.8 mt -65.75 -44.56 93.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.416 ' CD2' ' CE2' ' B' ' 101' ' ' PHE . 32.9 m-85 -64.9 -27.81 69.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -57.25 -48.66 78.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -72.45 -23.83 61.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.637 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -50.12 60.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.482 ' HD1' HD12 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -67.17 -32.45 73.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -76.41 -35.08 58.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.76 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.32 -50.1 74.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.72 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.16 -23.3 64.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.245 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.784 HD11 ' HB1' ' B' ' 108' ' ' ALA . 2.5 mt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 32.1 t -52.58 -26.76 14.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -59.24 -46.51 88.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -35.81 35.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.842 ' O ' HG23 ' B' ' 91' ' ' VAL . 52.1 mt -68.31 -50.11 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.46 -22.16 58.51 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.477 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.5 -40.11 30.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 27' ' ' SER . 11.2 p -80.15 -39.38 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.243 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.842 HG23 ' O ' ' B' ' 87' ' ' ILE . 56.2 t -57.98 -29.19 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 4.7 mtp-105 -56.05 -30.21 61.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.737 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 58.5 t -80.03 -49.94 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 1.068 HD13 HD13 ' A' ' 24' ' ' LEU . 1.1 mp -116.19 65.55 2.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.43 -40.77 5.42 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.538 2.159 . . . . 0.0 112.058 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.7 p -68.41 -32.62 72.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.561 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.593 ' CB ' HD23 ' B' ' 94' ' ' LEU . 11.9 t -70.25 -31.47 68.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.769 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.627 HD22 HG11 ' B' ' 91' ' ' VAL . 0.8 OUTLIER -60.35 -31.77 70.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.398 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -31.66 68.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.485 HG21 HG12 ' A' ' 17' ' ' ILE . 43.3 mt -67.77 -49.84 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.025 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.416 ' CE2' ' CD2' ' A' ' 31' ' ' PHE . 12.7 m-85 -64.81 -37.58 88.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.763 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 2.3 mt-10 -61.16 -49.26 77.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.493 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -28.12 65.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.513 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.556 ' C ' HD23 ' B' ' 104' ' ' LEU . 8.3 tt -62.79 -50.02 72.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.733 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.0 OUTLIER -69.41 -20.08 63.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -50.2 74.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.331 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -78.5 -28.17 46.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.064 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.784 ' HB1' HD11 ' A' ' 39' ' ' LEU . . . -57.15 -29.37 63.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.185 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.024 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.747 0.308 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -48.38 79.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.783 HD22 HD11 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -66.79 -48.48 68.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.532 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -50.55 -28.3 8.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -34.7 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -80.11 -32.44 39.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.019 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.957 ' O ' HG23 ' A' ' 21' ' ' VAL . 38.0 mt -66.55 -50.32 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.087 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.24 -22.02 57.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.721 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -37.33 34.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.728 0.299 . . . . 0.0 111.102 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 17' ' ' ILE . 12.1 p -80.15 -30.77 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.557 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.957 HG23 ' O ' ' A' ' 17' ' ' ILE . 45.2 t -56.62 -34.98 43.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.166 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -54.25 -28.83 44.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.819 HG12 HD21 ' B' ' 94' ' ' LEU . 21.3 t -80.03 -38.15 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.186 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.842 HD13 ' CB ' ' A' ' 27' ' ' SER . 2.8 mt -137.19 70.59 55.28 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.278 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.3 -7.38 20.85 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.447 2.098 . . . . 0.0 111.893 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 m -104.85 -33.93 8.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.253 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.842 ' CB ' HD13 ' A' ' 24' ' ' LEU . 9.9 t -70.51 -32.74 70.33 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -34.97 63.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -58.21 -32.89 68.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.5 mt -64.73 -45.79 94.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.808 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.452 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 51.9 m-85 -71.09 -25.91 62.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.434 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -56.42 -40.78 75.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.978 0.418 . . . . 0.0 110.622 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.12 -25.41 39.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.69 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.9 -50.11 65.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -63.15 -37.03 85.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.971 0.415 . . . . 0.0 110.822 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -76.84 -31.09 56.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.766 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -59.87 -50.11 75.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.712 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.56 -31.25 71.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.757 0.313 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.46 ' HA ' HD12 ' B' ' 87' ' ' ILE . 49.9 m -54.59 -30.76 55.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.018 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -42.68 94.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.864 ' O ' HG22 ' B' ' 89' ' ' THR . 0.4 OUTLIER -78.06 -39.63 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.888 ' O ' HG23 ' B' ' 91' ' ' VAL . 20.2 mt -63.7 -32.5 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.73 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.14 -46.62 92.5 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.552 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.864 HG22 ' O ' ' B' ' 86' ' ' LYS . 13.9 t -60.94 -30.22 70.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.822 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 19.2 t -80.13 -36.14 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 87' ' ' ILE . 38.2 t -58.1 -37.58 62.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.11 -26.88 7.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.075 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.695 ' O ' HD22 ' B' ' 94' ' ' LEU . 27.3 t -80.04 -44.84 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.846 HD12 ' HB2' ' B' ' 97' ' ' SER . 4.0 mm? -127.48 70.7 76.55 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.511 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -65.93 -19.12 58.36 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.412 2.075 . . . . 0.0 111.626 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 26.9 m -92.05 -40.53 11.03 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.846 ' HB2' HD12 ' B' ' 94' ' ' LEU . 4.5 t -57.45 -44.16 84.52 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.852 0.358 . . . . 0.0 110.804 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.425 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -52.43 -30.89 31.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.056 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -39.67 84.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.3 mt -70.79 -35.29 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.452 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 18.6 m-85 -76.44 -29.88 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.426 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 36.2 tt0 -58.46 -41.9 86.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.79 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -79.98 -24.32 40.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -50.01 61.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.429 ' CE1' ' HG2' ' B' ' 106' ' ' LYS . 0.6 OUTLIER -63.84 -33.84 76.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.817 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 0.6 OUTLIER -79.85 -30.27 40.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -57.8 -50.04 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.66 73.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.741 0.305 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -35.97 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.984 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mt -80.03 -41.46 25.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.036 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.779 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -53.84 -27.47 30.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.267 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -40.43 88.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.719 ' O ' HG22 ' A' ' 19' ' ' THR . 0.8 OUTLIER -80.11 -28.6 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.132 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.88 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.3 mt -71.7 -47.19 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 111.064 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.18 -38.09 39.38 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.988 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 16' ' ' LYS . 13.3 t -70.09 -32.14 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.699 0.285 . . . . 0.0 111.045 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 16' ' ' LYS . 21.2 t -80.29 -35.9 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 17' ' ' ILE . 11.4 t -57.15 -33.56 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.328 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -31.63 52.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.131 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.683 ' O ' HD12 ' A' ' 24' ' ' LEU . 31.9 t -80.13 -42.31 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.251 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.766 HD23 ' CB ' ' A' ' 27' ' ' SER . 7.9 mp -132.98 68.31 78.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.282 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.14 -18.62 65.92 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.514 2.143 . . . . 0.0 112.236 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -95.9 -39.14 9.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.097 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.766 ' CB ' HD23 ' A' ' 24' ' ' LEU . 1.4 t -59.5 -40.62 87.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.002 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -60.18 -40.73 90.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.661 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -56.79 -27.94 60.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.026 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 27' ' ' SER . 25.9 mt -73.28 -38.76 54.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.459 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 3.6 m-85 -73.01 -29.69 63.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.432 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 6.6 tt0 -57.77 -49.58 76.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.704 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.8 -27.39 63.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -49.97 69.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.947 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.672 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -68.23 -28.09 66.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 1.5 mmmp? -77.85 -46.59 21.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.746 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -64.68 -50.02 68.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.55 -26.11 66.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.227 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.852 0.358 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.64 -27.79 59.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -59.38 -41.9 90.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.588 ' O ' HG23 ' B' ' 90' ' ' VAL . 12.0 mttp -79.88 -33.95 39.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.629 ' O ' HG23 ' B' ' 91' ' ' VAL . 27.5 mt -70.5 -50.09 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.06 -19.7 57.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.617 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -32.85 39.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.678 0.275 . . . . 0.0 111.312 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 86' ' ' LYS . 11.9 t -80.08 -30.71 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.628 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.644 HG22 ' CD1' ' B' ' 98' ' ' LEU . 21.6 t -54.33 -33.57 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.216 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -55.96 -27.15 51.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.757 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.499 ' CG1' HD11 ' A' ' 24' ' ' LEU . 22.9 t -80.06 -33.44 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.704 ' HB2' HD22 ' A' ' 24' ' ' LEU . 3.3 mt -141.83 69.52 24.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.237 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.29 -17.88 62.18 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.372 2.048 . . . . 0.0 111.414 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -41.4 11.8 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.666 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.698 ' HB2' HD22 ' B' ' 94' ' ' LEU . 3.8 t -58.57 -49.94 75.6 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.917 0.389 . . . . 0.0 110.631 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.644 ' CD1' HG22 ' B' ' 91' ' ' VAL . 0.0 OUTLIER -55.19 -32.91 62.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.042 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -59.09 -42.27 90.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.932 0.396 . . . . 0.0 110.839 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.7 mt -68.22 -46.29 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.459 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 42.2 m-85 -64.97 -31.13 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.888 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.42 ' O ' ' CD1' ' B' ' 105' ' ' TYR . 0.6 OUTLIER -57.91 -39.37 77.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.714 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.05 -29.25 39.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.387 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.539 ' O ' HD23 ' B' ' 104' ' ' LEU . 2.7 tt -64.73 -49.19 71.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.789 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.42 ' CD1' ' O ' ' B' ' 102' ' ' GLU . 0.9 OUTLIER -73.79 -16.5 61.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.274 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -50.12 11.3 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.214 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 107' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' B' ' 104' ' ' LEU . 1.5 p90 -67.78 -30.76 70.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.26 86.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' LEU . . . . . 0.55 HD23 ' HG ' ' A' ' 39' ' ' LEU . 1.5 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.701 0.286 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -56.55 -41.92 77.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mt -80.08 -40.53 27.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 p -54.67 -24.64 22.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.42 -49.88 69.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -76.34 -29.79 57.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.833 ' O ' HG23 ' A' ' 21' ' ' VAL . 42.1 mt -76.58 -50.21 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.713 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.83 -21.02 54.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.218 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -47.26 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.603 HG11 ' CB ' ' B' ' 97' ' ' SER . 8.1 t -80.1 -35.61 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.193 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.983 HG11 HD12 ' A' ' 28' ' ' LEU . 87.2 t -56.01 -30.67 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.801 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -53.98 -30.85 48.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.421 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.637 HG12 ' CD2' ' A' ' 24' ' ' LEU . 83.3 t -73.88 -48.28 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.642 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.999 HD23 HD13 ' B' ' 94' ' ' LEU . 3.9 mm? -121.48 67.45 19.58 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.86 -18.94 65.95 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.41 2.073 . . . . 0.0 111.658 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -90.26 -40.85 11.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.8 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.794 ' HB3' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -61.49 -31.52 71.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.873 0.368 . . . . 0.0 110.546 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.983 HD12 HG11 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -56.71 -38.63 72.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -53.2 -39.14 63.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.502 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.523 HD12 ' H ' ' A' ' 30' ' ' ILE . 4.8 mp -72.72 -34.29 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.08 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -71.93 -44.37 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.437 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 8.7 pt-20 -56.76 -41.99 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.353 . . . . 0.0 110.731 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -29.35 60.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.557 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.523 ' O ' HD23 ' A' ' 34' ' ' LEU . 2.5 tt -63.06 -50.01 72.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.444 ' CZ ' ' HG2' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -69.43 -30.91 68.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -74.38 -32.54 62.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.776 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -68.98 -42.51 76.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.92 -28.5 55.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.346 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.656 HD11 ' HB1' ' B' ' 108' ' ' ALA . 1.8 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.468 HD22 HD11 ' B' ' 87' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.771 0.32 . . . . 0.0 110.76 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.8 -25.03 17.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -59.98 -43.11 95.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.747 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.622 ' O ' HG22 ' B' ' 89' ' ' THR . 0.1 OUTLIER -80.13 -33.99 38.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.781 ' O ' HG23 ' B' ' 91' ' ' VAL . 29.6 mt -73.47 -29.24 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.45 -35.95 91.98 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.999 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.622 HG22 ' O ' ' B' ' 86' ' ' LYS . 6.9 t -71.71 -35.79 70.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.692 0.246 . . . . 0.0 111.18 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 27' ' ' SER . 14.7 p -80.33 -42.26 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 0.0 111.185 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.781 HG23 ' O ' ' B' ' 87' ' ' ILE . 73.2 t -58.79 -29.8 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.727 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -51.15 -35.07 33.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.137 0.494 . . . . 0.0 110.276 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.547 HG12 HD21 ' A' ' 24' ' ' LEU . 49.1 t -80.18 -26.39 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.63 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.999 HD13 HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -134.18 63.29 60.89 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.056 -179.773 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 95' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' B' ' 94' ' ' LEU . 5.4 Cg_exo -78.57 -47.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.793 2.329 . . . . 0.0 112.012 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 47.1 t -62.1 -30.82 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.603 ' CB ' HG11 ' A' ' 20' ' ' VAL . 22.9 t -74.28 -33.37 63.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.108 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.674 HD12 HG11 ' B' ' 91' ' ' VAL . 0.4 OUTLIER -44.91 -39.38 5.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.474 -179.827 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -27.22 25.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.1 mt -78.17 -39.79 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -74.14 -31.75 62.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.446 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 23.2 tt0 -59.23 -47.29 85.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.709 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.87 -23.85 59.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.689 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 2.4 tt -68.54 -48.27 64.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.446 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.5 p90 -66.45 -34.95 79.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.859 0.362 . . . . 0.0 110.938 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.411 ' HD3' ' CE1' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -71.82 -30.12 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.787 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -60.84 -50.15 74.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.656 ' HB1' HD11 ' A' ' 39' ' ' LEU . . . -64.74 -45.1 87.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.221 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.827 0.346 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -75.28 -31.47 60.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.07 -32.93 65.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 p -59.26 -22.49 61.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -79.86 -50.12 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.138 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -65.87 -33.88 76.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.135 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.913 ' O ' HG23 ' A' ' 21' ' ' VAL . 48.5 mt -70.84 -49.49 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.811 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.57 -19.47 58.05 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.71 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -38.96 41.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.916 0.389 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.506 HG11 ' OG ' ' B' ' 97' ' ' SER . 21.4 t -80.12 -30.04 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.26 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 17' ' ' ILE . 49.9 t -59.0 -38.45 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.265 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -32.67 9.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.941 0.4 . . . . 0.0 111.06 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.673 ' O ' HD22 ' A' ' 24' ' ' LEU . 21.5 t -80.32 -41.04 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.467 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.805 HD12 ' OG ' ' A' ' 27' ' ' SER . 4.3 mm? -125.86 71.52 68.12 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 111.574 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.16 -17.55 54.87 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.331 2.021 . . . . 0.0 111.172 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -88.63 -40.92 12.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.606 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.805 ' OG ' HD12 ' A' ' 24' ' ' LEU . 11.1 m -59.57 -47.05 87.08 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.949 0.404 . . . . 0.0 110.46 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.752 HD12 HG11 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -42.17 -48.9 4.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.524 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.14 -35.09 72.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mm -72.73 -46.62 53.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.685 ' CZ ' HG22 ' B' ' 91' ' ' VAL . 23.0 m-85 -69.79 -40.91 75.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 1.3 tm-20 -58.86 -41.37 86.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.98 0.419 . . . . 0.0 110.645 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.07 -26.52 53.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.686 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.527 ' CD1' HD13 ' B' ' 87' ' ' ILE . 0.6 OUTLIER -65.5 -50.06 66.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.482 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.3 p90 -64.05 -29.91 71.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 2.8 mmtp -76.28 -36.77 58.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.767 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -59.71 -50.05 75.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.736 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -26.19 68.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.253 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 35' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.509 ' C ' HD12 ' B' ' 83' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 70.8 m -52.91 -24.92 10.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -44.33 89.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.043 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.758 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -66.42 -40.12 89.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.865 0.364 . . . . 0.0 110.819 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.759 ' O ' HG23 ' B' ' 91' ' ' VAL . 21.7 mt -74.93 -28.22 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.76 -26.32 74.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.656 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.758 HG22 ' O ' ' B' ' 86' ' ' LYS . 12.0 t -79.63 -34.87 40.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.686 0.279 . . . . 0.0 111.049 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.45 HG13 ' N ' ' B' ' 91' ' ' VAL . 12.5 p -80.41 -44.2 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.119 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 1.059 HG11 HD12 ' B' ' 98' ' ' LEU . 58.6 t -62.27 -33.71 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.52 -29.29 4.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.942 0.401 . . . . 0.0 110.574 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 85.9 t -80.05 -49.88 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.701 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.705 HD23 ' CB ' ' B' ' 97' ' ' SER . 1.1 mp -111.46 71.94 0.92 Allowed Pre-proline 0 N--CA 1.453 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.261 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.66 -24.21 22.05 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.486 2.124 . . . . 0.0 111.752 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.03 -33.86 22.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.744 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.705 ' CB ' HD23 ' B' ' 94' ' ' LEU . 21.2 t -65.37 -43.34 91.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.0 110.689 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 1.059 HD12 HG11 ' B' ' 91' ' ' VAL . 0.3 OUTLIER -53.07 -36.53 60.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.11 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.28 -31.81 63.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.445 ' CD1' HG21 ' A' ' 20' ' ' VAL . 26.5 mt -68.98 -39.33 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -72.7 -30.04 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -59.77 -36.2 76.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -50.19 59.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.594 HD12 ' N ' ' B' ' 105' ' ' TYR . 4.3 pp -69.83 -25.63 63.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.87 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.594 ' N ' HD12 ' B' ' 104' ' ' LEU . 0.8 OUTLIER -53.97 -50.03 67.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -78.37 -33.11 49.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -60.89 -49.99 75.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.0 -29.4 70.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.267 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.938 -179.9 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.792 0.329 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.69 -49.61 72.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 mt -80.07 -34.47 38.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.99 -29.24 42.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -37.74 85.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -79.89 -34.45 39.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.92 ' O ' HG23 ' A' ' 21' ' ' VAL . 37.3 mt -70.84 -50.0 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.6 -19.28 54.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.447 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -39.33 30.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 110.984 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 16' ' ' LYS . 11.5 t -80.0 -28.67 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.354 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.7 t -54.71 -30.69 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.155 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -57.99 -28.43 64.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.686 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.539 ' O ' HD12 ' A' ' 24' ' ' LEU . 35.0 t -80.0 -39.72 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.987 HD13 HD13 ' B' ' 94' ' ' LEU . 4.7 mp -131.77 69.58 81.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.278 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.43 -28.15 54.38 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.671 2.247 . . . . 0.0 111.841 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -84.12 -37.93 21.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.828 ' CB ' HD23 ' A' ' 24' ' ' LEU . 1.2 t -58.68 -43.3 89.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.794 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.476 HD12 ' CG1' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -46.46 -43.49 16.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.344 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.95 -29.92 31.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.02 -45.04 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -72.29 -35.57 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.786 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.43 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -60.87 -40.68 93.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.645 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -80.11 -24.56 40.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.645 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.23 -49.25 65.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.034 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.43 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -63.5 -38.24 90.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.826 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -32.07 73.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.771 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -70.65 -49.96 41.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.74 -29.29 62.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.212 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.8 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.895 179.874 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.795 0.331 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.53 ' HA ' HD12 ' B' ' 87' ' ' ILE . 3.2 m -52.37 -28.58 20.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.187 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -59.27 -43.96 92.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.668 ' O ' HG22 ' B' ' 89' ' ' THR . 1.4 mptt -80.07 -28.41 39.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.915 ' O ' HG23 ' B' ' 91' ' ' VAL . 26.5 mt -74.01 -43.77 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.41 -38.43 62.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.826 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.668 HG22 ' O ' ' B' ' 86' ' ' LYS . 10.3 t -68.64 -33.83 74.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.956 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 86' ' ' LYS . 22.1 t -80.23 -40.61 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.915 HG23 ' O ' ' B' ' 87' ' ' ILE . 25.1 t -57.59 -32.54 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -29.8 42.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.56 ' O ' HD12 ' B' ' 94' ' ' LEU . 47.0 t -78.35 -40.0 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.986 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.987 HD13 HD13 ' A' ' 24' ' ' LEU . 5.6 mp -130.43 70.7 82.4 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.193 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.25 -32.09 34.12 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.731 2.287 . . . . 0.0 111.77 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -80.38 -35.47 35.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.799 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.605 ' CB ' HD23 ' B' ' 94' ' ' LEU . 1.3 t -60.31 -47.03 87.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.822 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.74 HD12 ' O ' ' B' ' 98' ' ' LEU . 0.7 OUTLIER -58.15 -33.97 69.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.771 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -56.0 -32.9 64.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.506 HG21 HG12 ' A' ' 17' ' ' ILE . 17.9 mt -73.63 -40.29 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.427 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 97.7 m-85 -70.35 -28.25 64.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.436 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 3.2 mt-10 -60.07 -49.93 75.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.791 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.92 -30.51 62.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.873 HD22 ' O ' ' B' ' 104' ' ' LEU . 0.0 OUTLIER -62.84 -43.19 99.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.448 179.725 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.771 ' N ' HD13 ' B' ' 104' ' ' LEU . 0.5 OUTLIER -80.0 -17.88 51.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.047 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.41 -50.1 68.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.185 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 107' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' B' ' 104' ' ' LEU . 6.0 p90 -77.93 -28.8 49.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.741 0.305 . . . . 0.0 111.086 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.91 -29.28 59.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.219 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.749 0.309 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 t -59.69 -48.44 81.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.99 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.882 HD22 HD11 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -71.74 -44.72 63.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.445 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.6 m -57.22 -26.16 60.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.129 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -71.63 -41.83 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.03 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' O ' HG22 ' A' ' 19' ' ' THR . 7.7 ptpt -73.86 -26.65 60.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.109 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.882 HD11 HD22 ' A' ' 13' ' ' LEU . 22.2 mt -78.95 -30.91 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.7 -26.2 74.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.596 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 16' ' ' LYS . 6.2 t -79.68 -35.6 38.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.322 . . . . 0.0 111.016 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 21' ' ' VAL . 13.1 p -80.09 -43.6 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 17' ' ' ILE . 92.3 t -60.18 -29.93 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.0 ttp85 -55.28 -34.02 63.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.5 t -80.11 -50.04 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.317 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.897 HD12 ' CB ' ' A' ' 27' ' ' SER . 1.6 mm? -114.8 66.16 1.78 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.287 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.11 -13.13 33.42 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.453 2.102 . . . . 0.0 111.916 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.98 -40.07 10.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.897 ' CB ' HD12 ' A' ' 24' ' ' LEU . 7.8 t -66.62 -32.01 73.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.943 0.402 . . . . 0.0 110.561 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.47 HD22 ' CG1' ' A' ' 21' ' ' VAL . 0.3 OUTLIER -55.57 -43.35 75.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.765 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -52.41 -30.63 30.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.9 mm -66.59 -42.78 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.808 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -77.15 -31.28 55.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.795 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.438 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 37.7 tt0 -58.47 -50.09 74.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.593 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -71.09 -23.59 62.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.46 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 34' ' ' LEU . 1.6 tt -67.68 -50.07 59.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.973 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.438 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.5 p90 -66.24 -36.83 84.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.753 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -61.97 -46.47 89.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.025 0.441 . . . . 0.0 110.687 179.833 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.03 -42.72 99.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.802 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.95 -21.18 42.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.513 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.773 0.32 . . . . 0.0 111.003 179.885 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.801 ' HA ' HD12 ' B' ' 87' ' ' ILE . 51.6 m -51.96 -26.94 11.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.211 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -58.64 -44.84 90.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.815 ' O ' HG22 ' B' ' 89' ' ' THR . 28.8 mtmt -80.02 -28.25 39.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.995 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.872 ' O ' HG23 ' B' ' 91' ' ' VAL . 27.9 mt -69.23 -33.98 60.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.25 -35.81 86.16 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.642 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.815 HG22 ' O ' ' B' ' 86' ' ' LYS . 15.1 t -74.78 -30.52 61.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 110.967 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 86' ' ' LYS . 21.5 t -80.28 -46.05 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 87' ' ' ILE . 24.8 t -59.48 -34.42 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.147 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.49 -35.17 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 25.5 t -80.11 -46.33 22.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.157 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.914 HD12 ' CB ' ' B' ' 97' ' ' SER . 3.1 mm? -117.3 69.89 5.72 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.279 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.59 -5.07 16.1 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.423 2.082 . . . . 0.0 112.269 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -109.28 -36.98 5.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.167 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.914 ' CB ' HD12 ' B' ' 94' ' ' LEU . 9.7 t -64.32 -33.05 74.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.727 0.298 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.488 HD12 HG13 ' B' ' 91' ' ' VAL . 0.5 OUTLIER -53.12 -33.02 50.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.067 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -56.16 -40.02 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 40.0 mt -71.22 -36.53 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -75.71 -29.59 59.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.408 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 2.3 mt-10 -56.81 -45.8 82.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.747 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -76.22 -25.73 55.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.655 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.458 ' O ' HD23 ' B' ' 104' ' ' LEU . 1.4 tt -65.84 -49.93 66.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.44 ' CZ ' ' HG2' ' B' ' 106' ' ' LYS . 0.6 OUTLIER -69.51 -35.79 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.759 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.451 ' HA ' HD12 ' B' ' 109' ' ' LEU . 0.1 OUTLIER -72.6 -38.38 67.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.8 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -59.1 -45.5 90.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.26 -24.25 63.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.198 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 106' ' ' LYS . 28.7 mt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.019 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.868 0.366 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t -75.06 -43.04 55.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.7 mm? -62.9 -49.08 76.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 t -54.24 -25.48 23.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -79.06 -45.94 19.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.107 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.513 ' O ' HG22 ' A' ' 19' ' ' THR . 1.3 mppp? -75.62 -34.86 60.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.949 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.819 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.8 mt -80.04 -44.43 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.812 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.03 -25.53 64.4 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.745 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 16' ' ' LYS . 10.2 t -80.07 -38.27 32.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.692 0.282 . . . . 0.0 111.019 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.569 HG21 ' OG ' ' B' ' 97' ' ' SER . 13.0 p -80.2 -40.01 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.251 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 17' ' ' ILE . 99.4 t -54.94 -29.08 21.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.14 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -31.51 63.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.794 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.5 t -80.22 -50.18 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.182 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.797 HD23 ' CB ' ' A' ' 27' ' ' SER . 1.6 mp -114.82 72.47 2.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.265 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.641 ' HA ' HD23 ' A' ' 28' ' ' LEU . 73.0 Cg_endo -75.83 -20.08 15.59 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.578 2.185 . . . . 0.0 112.144 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.19 -37.34 12.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.797 ' CB ' HD23 ' A' ' 24' ' ' LEU . 3.8 t -60.52 -38.91 85.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.856 0.36 . . . . 0.0 110.685 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.641 HD23 ' HA ' ' A' ' 25' ' ' PRO . 3.7 pp -54.11 -29.0 43.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.018 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -57.13 -43.56 82.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.789 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.567 HD12 ' H ' ' A' ' 30' ' ' ILE . 4.0 mp -68.26 -31.32 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.792 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -78.83 -27.57 44.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.41 -50.11 74.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.816 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.24 -50.04 74.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.465 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.903 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -65.68 -37.93 87.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.875 179.279 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.77 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -62.11 -44.81 95.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.419 179.459 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -79.35 -29.94 42.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.88 -50.02 75.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.5 ' O ' HD21 ' B' ' 109' ' ' LEU . . . -62.54 -27.95 69.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.766 0.317 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 70.9 m -54.65 -29.46 52.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.16 -45.57 92.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.706 ' O ' HG22 ' B' ' 89' ' ' THR . 11.3 mttt -79.95 -37.7 33.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.885 ' O ' HG23 ' B' ' 91' ' ' VAL . 16.6 mt -66.21 -45.16 90.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.28 -49.27 25.68 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.049 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.706 HG22 ' O ' ' B' ' 86' ' ' LYS . 4.8 t -59.57 -33.6 71.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.326 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 86' ' ' LYS . 21.9 t -80.29 -42.04 21.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.224 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.885 HG23 ' O ' ' B' ' 87' ' ' ILE . 11.3 t -59.06 -36.62 63.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.244 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -28.85 9.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 32.0 t -80.13 -48.48 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.046 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.945 HD12 ' HB2' ' B' ' 97' ' ' SER . 3.5 mm? -117.78 69.2 6.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.97 -7.54 20.85 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.452 2.101 . . . . 0.0 112.162 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.6 p -104.25 -36.8 7.51 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.945 ' HB2' HD12 ' B' ' 94' ' ' LEU . 42.4 t -64.43 -38.44 91.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.884 0.373 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.851 HD12 HG13 ' B' ' 91' ' ' VAL . 1.2 tt -54.92 -30.9 59.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.268 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.67 -35.31 72.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.2 mt -66.4 -47.26 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.036 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -66.75 -26.98 67.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 10.1 tt0 -56.89 -46.69 81.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.397 . . . . 0.0 110.738 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -15.5 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.006 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.443 ' O ' HD23 ' B' ' 104' ' ' LEU . 2.2 tt -74.8 -50.01 18.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.092 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.5 OUTLIER -60.2 -39.87 88.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.925 0.393 . . . . 0.0 110.872 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -70.73 -30.7 67.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.7 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -71.27 -49.96 37.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.808 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.51 -37.34 78.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 38' ' ' ALA . 51.5 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.814 0.34 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 m -59.34 -32.67 70.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.981 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 mt -80.23 -30.29 38.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.2 m -62.32 -49.96 73.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.287 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -56.94 -31.96 65.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.223 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.513 ' O ' HG22 ' A' ' 19' ' ' THR . 8.4 ttmt -72.09 -35.62 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.945 0.403 . . . . 0.0 110.799 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.874 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.4 mt -77.0 -46.78 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.754 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.4 -40.63 86.35 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.631 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 16' ' ' LYS . 7.9 t -61.44 -39.23 90.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 110.814 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG11 ' OG ' ' B' ' 97' ' ' SER . 22.3 t -80.21 -35.03 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.061 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 17' ' ' ILE . 93.9 t -58.84 -35.84 58.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.06 -32.16 9.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.006 0.431 . . . . 0.0 110.76 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.603 ' O ' HD22 ' A' ' 24' ' ' LEU . 46.7 t -80.18 -41.43 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.801 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.859 HD12 ' HB2' ' A' ' 27' ' ' SER . 4.4 mm? -125.3 73.41 67.15 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.268 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.58 -11.01 30.15 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.524 2.15 . . . . 0.0 112.104 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -104.37 -35.64 7.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.064 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.859 ' HB2' HD12 ' A' ' 24' ' ' LEU . 3.1 t -63.02 -37.58 87.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.88 0.372 . . . . 0.0 110.743 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.655 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -58.84 -33.43 70.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.788 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -31.49 66.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.0 mt -78.85 -48.23 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.08 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' CE1' ' HG ' ' B' ' 98' ' ' LEU . 12.9 m-85 -65.0 -31.62 72.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.038 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 1.6 tt0 -60.1 -50.08 75.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.775 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.54 -20.51 62.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -50.14 29.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.7 p90 -64.86 -29.25 70.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 30.3 mttt -77.05 -30.73 55.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -69.59 -49.93 49.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.23 -22.69 63.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.428 HD11 ' HB1' ' B' ' 108' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.151 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.817 0.341 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 21.7 p -55.22 -26.96 42.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.036 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -58.63 -47.09 85.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.608 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -77.25 -37.19 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.664 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.872 ' O ' HG23 ' B' ' 91' ' ' VAL . 35.7 mt -65.51 -21.82 29.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.179 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.59 -29.3 73.83 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.862 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.608 HG22 ' O ' ' B' ' 86' ' ' LYS . 2.9 t -80.15 -36.03 35.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.598 0.237 . . . . 0.0 111.423 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' B' ' 87' ' ' ILE . 14.4 p -74.28 -41.37 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.405 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 87' ' ' ILE . 65.7 t -57.69 -30.25 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.764 0.316 . . . . 0.0 110.887 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -56.27 -27.61 55.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.657 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.485 HG12 HD21 ' A' ' 24' ' ' LEU . 38.4 t -80.07 -37.8 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.868 HD13 ' CB ' ' B' ' 97' ' ' SER . 3.0 mt -136.6 72.2 57.31 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.262 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.0 -6.04 17.93 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.361 2.041 . . . . 0.0 111.857 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 95.6 p -106.44 -33.67 7.65 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.266 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.868 ' CB ' HD13 ' B' ' 94' ' ' LEU . 40.6 t -67.55 -40.57 84.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.784 0.326 . . . . 0.0 110.811 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.417 HD22 ' HG3' ' B' ' 102' ' ' GLU . 0.2 OUTLIER -53.03 -32.26 45.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -32.89 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' B' ' 97' ' ' SER . 4.3 mt -73.83 -35.44 43.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.945 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -76.62 -34.21 58.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.45 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 2.7 mt-10 -59.43 -50.2 74.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.607 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -70.3 -27.26 64.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.486 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.553 ' O ' HD23 ' B' ' 104' ' ' LEU . 4.1 tt -63.73 -49.89 71.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.806 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.1 p90 -68.86 -22.01 64.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -67.1 -50.18 62.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.407 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -72.8 -29.49 63.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.107 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' A' ' 39' ' ' LEU . . . -57.15 -27.35 61.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.183 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.819 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.702 0.287 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 t -66.94 -47.47 71.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.993 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 mt -78.79 -28.79 44.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.043 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.73 -31.74 64.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.052 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -42.83 71.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.765 ' O ' HG22 ' A' ' 19' ' ' THR . 14.3 mttt -65.7 -37.04 85.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.795 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.0 mt -72.46 -28.41 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.065 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.81 -29.54 73.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.54 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 16' ' ' LYS . 13.8 t -78.5 -31.13 47.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.899 0.381 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 16' ' ' LYS . 12.0 t -80.25 -49.63 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 17' ' ' ILE . 44.7 t -57.68 -32.77 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -27.99 45.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.648 ' O ' HD12 ' A' ' 24' ' ' LEU . 27.8 t -79.96 -39.54 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.255 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.812 HD13 HD13 ' B' ' 94' ' ' LEU . 5.6 mp -134.18 65.07 68.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.277 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -58.34 -25.65 73.83 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.323 2.015 . . . . 0.0 111.37 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.64 -38.53 33.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.577 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.691 ' HB2' HD23 ' A' ' 24' ' ' LEU . 4.1 t -67.01 -33.58 75.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.921 0.391 . . . . 0.0 110.511 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.745 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -54.39 -33.5 59.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.836 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.46 -32.66 67.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' B' ' 90' ' ' VAL . 35.5 mt -67.22 -50.07 66.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.967 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.493 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 49.6 m-85 -68.04 -31.06 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.685 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 40.7 tt0 -57.71 -39.65 77.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.665 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.407 ' HA ' ' HG2' ' A' ' 36' ' ' LYS . 1.2 mt-10 -80.12 -20.16 45.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.624 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.06 -50.09 10.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.504 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.435 ' CD1' ' HA ' ' A' ' 32' ' ' GLU . 1.6 p90 -68.97 -38.62 79.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.374 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -69.68 -41.48 75.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.058 -179.756 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -53.48 -50.11 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.47 -29.77 66.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.699 HD21 ' HB1' ' B' ' 108' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.609 HD23 ' HD2' ' B' ' 86' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.864 0.364 . . . . 0.0 110.957 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 66.4 m -51.06 -29.43 12.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -44.2 89.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.609 ' HD2' HD23 ' B' ' 83' ' ' LEU . 15.5 ptpt -79.97 -32.93 39.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.911 ' O ' HG23 ' B' ' 91' ' ' VAL . 18.9 mt -71.82 -50.13 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.918 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.52 -26.34 64.36 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.374 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -42.4 72.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 86' ' ' LYS . 11.2 t -78.64 -34.51 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.976 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.911 HG23 ' O ' ' B' ' 87' ' ' ILE . 86.7 t -55.39 -26.8 19.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.694 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -55.72 -35.97 66.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.461 ' O ' HD12 ' B' ' 94' ' ' LEU . 66.1 t -79.99 -30.65 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.781 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' B' ' 97' ' ' SER . 1.1 mp -136.63 67.0 58.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.048 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.97 -35.77 11.45 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.755 2.304 . . . . 0.0 112.127 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -75.58 -32.74 60.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.981 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.835 ' CB ' HD23 ' B' ' 94' ' ' LEU . 16.9 t -70.71 -31.57 68.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.994 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.792 HD12 ' O ' ' B' ' 98' ' ' LEU . 0.6 OUTLIER -57.83 -34.2 69.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.555 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.81 -27.68 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.596 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 24.3 mm -66.58 -50.11 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.493 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 90.3 m-85 -68.51 -37.99 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -62.57 -29.25 70.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.46 -50.07 15.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.816 HD12 ' N ' ' B' ' 105' ' ' TYR . 4.1 pp -64.88 -36.83 85.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.816 ' N ' HD12 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -59.33 -38.3 79.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.1 -33.98 38.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -64.7 -44.24 90.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.014 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.699 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -61.54 -25.61 67.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.464 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 48.2 mt . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 120.772 0.32 . . . . 0.0 111.005 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.855 0.359 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -42.07 98.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.8 mt -80.09 -29.97 39.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.053 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -29.29 58.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.206 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -35.24 80.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' O ' HG22 ' A' ' 19' ' ' THR . 0.1 OUTLIER -79.36 -28.09 41.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.855 ' O ' HG23 ' A' ' 21' ' ' VAL . 34.4 mt -79.97 -49.5 19.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.69 -25.55 51.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.854 -0.689 . . . . 0.0 113.087 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 16' ' ' LYS . 8.2 t -79.6 -39.86 30.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.72 0.295 . . . . 0.0 111.133 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.578 HG21 ' OG ' ' B' ' 97' ' ' SER . 11.6 p -80.08 -38.68 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.283 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 17' ' ' ILE . 59.4 t -56.29 -31.11 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -30.94 48.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.8 t -79.81 -49.65 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.864 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.975 HD13 HD13 ' B' ' 94' ' ' LEU . 4.4 mp -117.07 72.92 6.43 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.021 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.13 -28.77 23.08 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.49 2.127 . . . . 0.0 111.958 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.7 t -83.74 -34.46 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.683 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.69 ' CB ' HD23 ' A' ' 24' ' ' LEU . 1.4 t -60.33 -47.33 86.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.728 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.51 HD12 ' CG1' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -45.95 -31.47 2.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.35 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -56.81 -30.88 64.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mt -80.03 -42.21 21.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.02 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -69.39 -39.38 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 1.3 tt0 -60.02 -42.38 94.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.11 -22.61 52.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.71 -49.99 41.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.972 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.457 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.7 p90 -62.94 -38.56 91.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.788 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -31.5 59.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -69.29 -43.8 73.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.87 -13.37 62.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.518 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.701 0.286 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 74.7 m -49.36 -27.5 4.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.256 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -49.98 75.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.556 ' O ' HG22 ' B' ' 89' ' ' THR . 0.3 OUTLIER -80.08 -25.24 40.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.823 ' O ' HG23 ' B' ' 91' ' ' VAL . 34.2 mt -79.1 -38.48 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.17 -25.46 68.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.711 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.556 HG22 ' O ' ' B' ' 86' ' ' LYS . 6.9 t -79.98 -37.41 34.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.73 0.3 . . . . 0.0 111.041 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.489 HG21 ' OG ' ' A' ' 27' ' ' SER . 12.6 p -80.18 -40.98 20.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.272 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.823 HG23 ' O ' ' B' ' 87' ' ' ILE . 89.8 t -56.68 -30.18 31.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -53.86 -31.53 49.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.58 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 55.7 t -80.2 -49.8 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.9 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.975 HD13 HD13 ' A' ' 24' ' ' LEU . 3.3 mp -116.13 69.1 3.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.27 -25.83 18.23 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.461 2.107 . . . . 0.0 112.004 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.2 p -84.62 -31.94 23.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.578 ' OG ' HG21 ' A' ' 20' ' ' VAL . 13.2 t -66.37 -43.25 86.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.783 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.486 HD12 ' CG1' ' B' ' 91' ' ' VAL . 0.5 OUTLIER -47.5 -32.9 5.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.326 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.47 -42.9 83.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.945 0.402 . . . . 0.0 111.01 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' B' ' 97' ' ' SER . 4.4 mt -62.53 -37.62 79.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.004 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -78.85 -31.68 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.423 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 6.5 tt0 -60.47 -48.78 80.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.78 -23.52 60.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.453 ' O ' HD23 ' B' ' 104' ' ' LEU . 3.6 tt -69.84 -47.33 63.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' B' ' 106' ' ' LYS . 1.4 p90 -69.01 -46.57 67.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.879 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.453 ' N ' ' CD1' ' B' ' 105' ' ' TYR . 4.7 tttp -60.26 -35.48 75.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.793 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -66.79 -50.13 63.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.57 -25.68 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.235 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 77.5 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.0 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.808 0.337 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -50.1 69.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mt -80.18 -41.34 25.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.026 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.2 p -55.05 -27.79 47.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.319 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -42.98 56.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.028 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 19' ' ' THR . 9.0 mtpp -68.8 -30.91 69.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.022 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.914 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.1 mt -78.72 -49.7 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.72 -29.56 58.4 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.94 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 16' ' ' LYS . 6.9 t -73.55 -38.64 65.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 111.13 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 17' ' ' ILE . 12.3 p -79.86 -32.56 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.05 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.064 HG11 HD12 ' A' ' 28' ' ' LEU . 60.5 t -62.06 -31.5 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.639 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -28.44 35.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.459 ' O ' HD22 ' A' ' 24' ' ' LEU . 46.0 t -79.82 -47.03 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.962 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.89 HD12 ' HB2' ' A' ' 27' ' ' SER . 2.8 mm? -121.36 67.85 19.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.19 -22.33 72.67 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.39 2.06 . . . . 0.0 111.398 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.6 t -83.96 -40.73 18.13 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.592 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.89 ' HB2' HD12 ' A' ' 24' ' ' LEU . 5.9 t -60.5 -40.75 92.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.878 0.371 . . . . 0.0 110.544 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.064 HD12 HG11 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -46.19 -36.91 6.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.348 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.02 -50.0 70.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 27' ' ' SER . 2.6 mt -59.07 -50.11 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -60.8 -32.86 72.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -57.21 -50.11 73.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.93 -33.16 65.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.856 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -67.81 -40.74 83.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.368 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.554 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.36 -42.01 72.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.412 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -75.64 -26.31 57.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -58.67 -49.77 76.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.4 42.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.362 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.68 HD11 ' HB1' ' B' ' 108' ' ' ALA . 13.1 mt . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.04 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.552 ' C ' HD12 ' B' ' 83' ' ' LEU . 1.2 pp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.885 0.374 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -25.9 43.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.765 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -58.02 -43.71 86.9 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.822 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.796 ' O ' HG22 ' B' ' 89' ' ' THR . 0.1 OUTLIER -65.1 -35.69 81.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.703 179.792 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.9 ' O ' HG23 ' B' ' 91' ' ' VAL . 38.5 mt -69.65 -33.17 55.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.775 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.77 -42.58 99.52 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.796 HG22 ' O ' ' B' ' 86' ' ' LYS . 14.0 t -64.07 -31.66 72.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.77 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 23.6 t -80.19 -46.6 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.042 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 87' ' ' ILE . 42.5 t -56.46 -29.5 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -55.78 -31.41 62.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.749 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.446 ' O ' HD12 ' B' ' 94' ' ' LEU . 43.1 t -79.96 -35.42 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.024 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.941 HD23 ' CB ' ' B' ' 97' ' ' SER . 1.0 OUTLIER -136.53 65.07 54.22 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.198 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 95' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' B' ' 94' ' ' LEU . 16.0 Cg_exo -67.47 -28.35 38.74 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.573 2.182 . . . . 0.0 111.747 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 9.8 p -78.69 -38.48 39.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.941 ' CB ' HD23 ' B' ' 94' ' ' LEU . 39.9 t -66.21 -31.08 71.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.749 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.779 HD12 ' O ' ' B' ' 98' ' ' LEU . 0.7 OUTLIER -58.97 -31.63 68.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.03 -30.68 70.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.78 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.444 HD12 HG11 ' A' ' 20' ' ' VAL . 46.5 mt -69.23 -47.49 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -66.95 -27.34 67.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.453 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 43.3 tt0 -56.62 -49.84 73.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.726 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -72.03 -21.82 61.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.783 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.414 ' O ' HD23 ' B' ' 104' ' ' LEU . 2.3 tt -71.12 -50.03 37.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.453 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.7 p90 -64.22 -37.12 86.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.777 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -62.21 -31.99 72.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -59.97 -48.42 81.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.68 ' HB1' HD11 ' A' ' 39' ' ' LEU . . . -71.87 -29.06 63.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.932 179.9 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.793 0.33 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t -58.76 -41.7 87.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.431 HD22 HD11 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -76.24 -36.51 58.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.2 t -57.17 -32.82 66.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -35.77 80.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.699 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -80.1 -32.28 39.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.019 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 21' ' ' VAL . 44.7 mt -76.0 -49.17 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.052 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.48 -28.95 52.48 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.695 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 16' ' ' LYS . 8.9 t -79.98 -33.18 39.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 16' ' ' LYS . 53.3 t -80.03 -36.76 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.002 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 17' ' ' ILE . 47.3 t -54.5 -34.96 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -29.89 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.61 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.625 ' CG1' HD11 ' B' ' 94' ' ' LEU . 25.3 t -80.15 -31.3 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.251 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.745 HD22 ' HB2' ' A' ' 27' ' ' SER . 4.2 mt -147.58 69.41 11.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 111.657 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -61.86 -19.24 64.96 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.311 2.007 . . . . 0.0 111.085 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -89.98 -43.63 10.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.027 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.745 ' HB2' HD22 ' A' ' 24' ' ' LEU . 5.4 t -55.35 -42.44 73.85 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-O 120.864 0.364 . . . . 0.0 110.592 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -59.71 -31.69 69.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.679 179.735 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.39 -47.41 79.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 27' ' ' SER . 3.0 mt -57.17 -48.68 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' B' ' 98' ' ' LEU . 38.5 m-85 -62.68 -28.03 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -58.74 -44.55 90.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -80.18 -24.21 40.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.032 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.758 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -80.09 -50.14 10.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.156 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.744 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -58.53 -35.07 71.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.753 0.311 . . . . 0.0 110.711 -179.834 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.636 ' HA ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -80.06 -29.98 39.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -69.26 -50.09 50.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.16 -25.3 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.377 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.661 HD23 ' HG ' ' B' ' 109' ' ' LEU . 10.2 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.869 0.366 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 28.3 p -53.97 -27.66 32.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -58.56 -43.72 89.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.791 ' O ' HG23 ' B' ' 90' ' ' VAL . 0.0 OUTLIER -79.13 -34.45 43.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.805 179.796 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.939 ' O ' HG23 ' B' ' 91' ' ' VAL . 54.8 mt -66.34 -50.27 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.803 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.68 -26.35 57.22 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.263 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.89 -35.59 37.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.961 0.41 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.791 HG23 ' O ' ' B' ' 86' ' ' LYS . 21.5 t -80.16 -29.31 12.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.381 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.939 HG23 ' O ' ' B' ' 87' ' ' ILE . 59.9 t -55.07 -31.22 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.155 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -54.54 -36.66 64.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.759 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 40.9 t -80.03 -46.28 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.984 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.725 HD23 ' CB ' ' B' ' 97' ' ' SER . 5.9 mp -125.58 74.13 69.21 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 95' ' ' PRO . . . . . 0.447 ' HA ' HG13 ' B' ' 91' ' ' VAL . 59.1 Cg_endo -72.24 -29.19 14.51 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.538 2.159 . . . . 0.0 111.952 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.7 m -84.22 -34.33 23.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.773 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' SER . . . . . 0.725 ' CB ' HD23 ' B' ' 94' ' ' LEU . 1.7 t -60.19 -43.43 95.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.798 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -59.47 -28.98 67.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.681 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.48 -47.86 82.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.025 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' B' ' 97' ' ' SER . 2.1 mp -58.71 -50.03 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.236 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 33.1 m-85 -59.8 -32.89 71.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 87.3 mt-10 -63.91 -39.62 94.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.687 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.13 -24.41 40.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.26 -50.05 62.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.446 ' CZ ' ' HG3' ' B' ' 106' ' ' LYS . 0.8 OUTLIER -62.97 -34.66 77.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.743 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.446 ' HG3' ' CZ ' ' B' ' 105' ' ' TYR . 7.3 mtpm? -76.78 -32.64 57.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.628 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -73.66 -47.28 41.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.634 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.99 -13.11 61.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.429 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' LEU . . . . . 0.661 ' HG ' HD23 ' A' ' 39' ' ' LEU . 3.1 mt . . . . . 0 C--N 1.332 -0.187 0 CA-C-O 120.766 0.317 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.99 85.57 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.5 mmt -134.15 141.89 47.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -53.27 7.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.89 80.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.492 ' HG2' HD13 ' A' ' 6' ' ' LEU . 11.1 mttt -134.92 146.02 48.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.637 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.4 pt? -177.63 -40.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.763 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.486 ' CE1' ' CE2' ' A' ' 35' ' ' TYR . 19.1 t80 -60.17 -36.27 77.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.734 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.516 HD12 ' H ' ' A' ' 6' ' ' LEU . 5.6 mp -71.03 -21.16 62.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.83 29.33 2.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.806 0.336 . . . . 0.0 110.992 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -132.23 30.37 4.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.51 HD13 ' HB3' ' A' ' 13' ' ' LEU . 1.1 pp -167.51 163.0 9.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.794 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -48.7 154.89 2.69 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.676 2.25 . . . . 0.0 112.514 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -31.31 72.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.9 m -58.77 -40.32 83.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.643 HD22 HD11 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -80.0 -45.0 19.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.7 p -58.39 -25.54 62.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.099 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -50.05 16.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.018 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' O ' HG22 ' A' ' 19' ' ' THR . 0.0 OUTLIER -67.79 -29.06 68.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.078 -179.773 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.81 ' O ' HG23 ' A' ' 21' ' ' VAL . 17.5 mt -80.02 -48.91 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.065 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.15 -26.57 58.84 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.93 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 16' ' ' LYS . 9.9 t -78.59 -39.35 37.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.837 0.351 . . . . 0.0 111.177 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.479 HG21 ' OG ' ' B' ' 97' ' ' SER . 11.5 p -80.13 -36.75 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 17' ' ' ILE . 93.4 t -57.4 -35.57 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.89 -32.95 15.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.554 ' O ' HD22 ' A' ' 24' ' ' LEU . 42.7 t -80.19 -44.11 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.104 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.855 HD12 ' HB2' ' A' ' 27' ' ' SER . 3.6 mm? -123.11 74.96 50.02 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.32 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.86 -10.39 28.36 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.524 2.149 . . . . 0.0 111.893 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -102.27 -32.25 10.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.855 ' HB2' HD12 ' A' ' 24' ' ' LEU . 5.4 t -67.25 -48.95 66.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.828 0.347 . . . . 0.0 110.715 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.928 HD13 ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -57.96 -19.66 32.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.241 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.928 ' N ' HD13 ' A' ' 28' ' ' LEU . 4.3 tm-20 -69.38 -41.68 76.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 110.668 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.481 HG21 HG12 ' B' ' 87' ' ' ILE . 10.8 mt -66.53 -47.49 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.49 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 20.3 m-85 -62.9 -29.94 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 15.8 tt0 -58.78 -39.7 81.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.604 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.1 -24.9 40.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.753 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.28 -50.02 61.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.042 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.486 ' CE2' ' CE1' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -63.42 -33.34 75.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.849 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.428 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 12.3 mttm -70.15 -32.09 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.774 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -60.07 -49.52 77.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.79 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.08 -29.12 66.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.97 -49.71 76.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -70.56 -28.76 65.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -57.09 -27.3 61.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.526 ' ND2' HD23 ' B' ' 109' ' ' LEU . 0.5 OUTLIER -57.87 -31.41 66.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.861 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.1 p -134.31 123.45 24.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -133.18 113.81 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -60.91 -179.0 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.34 113.6 27.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.1 m -114.51 -62.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.0 75.31 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.8 m170 62.07 122.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.004 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -93.05 118.73 31.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.77 137.56 41.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.973 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.3 OUTLIER 177.35 -58.11 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.004 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.475 ' HD3' ' HB3' ' A' ' 52' ' ' LYS . 40.1 Cg_endo -66.65 104.36 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.25 1.967 . . . . 0.0 112.312 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.93 148.56 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mp -129.78 139.94 50.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -64.07 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.5 144.94 25.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.29 171.43 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -148.13 -47.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -152.87 -174.72 5.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.477 ' H ' HD23 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -97.09 39.13 1.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mp 60.19 -175.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.14 115.26 5.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -159.49 94.23 1.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -102.86 -54.63 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -134.22 -176.77 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.703 HD13 ' H ' ' A' ' 67' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.251 -0.88 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.093 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 5.8 m170 61.67 114.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.793 0.33 . . . . 0.0 111.031 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 26.2 mtt -88.42 152.63 21.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 11.4 mtt -82.46 89.35 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.3 m 60.84 156.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -148.3 157.46 43.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.91 149.78 48.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.4 ' C ' HD23 ' B' ' 79' ' ' LEU . 29.1 t80 56.67 28.03 13.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.988 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.81 -45.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.86 -36.63 49.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.48 -66.15 0.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.57 HD12 ' N ' ' B' ' 80' ' ' PRO . 1.7 pp -51.42 171.49 0.18 Allowed Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.713 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.57 ' N ' HD12 ' B' ' 79' ' ' LEU . 81.7 Cg_exo -46.26 93.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.352 2.034 . . . . 0.0 112.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -54.09 -25.45 21.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.316 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -44.51 80.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 13.3 mt -80.03 -41.62 25.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.686 ' HA ' HD12 ' B' ' 87' ' ' ILE . 3.8 m -49.94 -28.14 6.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.317 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -59.14 -44.5 92.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.708 ' O ' HG22 ' B' ' 89' ' ' THR . 0.8 OUTLIER -80.05 -29.9 39.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.018 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.925 ' O ' HG23 ' B' ' 91' ' ' VAL . 64.7 mt -63.21 -50.15 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.863 0.363 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -49.3 -48.3 33.5 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.957 -0.639 . . . . 0.0 113.08 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.708 HG22 ' O ' ' B' ' 86' ' ' LYS . 14.2 t -62.24 -32.47 73.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.687 0.28 . . . . 0.0 111.081 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.652 HG23 ' O ' ' B' ' 86' ' ' LYS . 25.6 t -80.39 -40.09 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 87' ' ' ILE . 21.4 t -52.73 -31.9 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.389 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.63 -35.69 68.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.026 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.16 -46.46 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.449 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' B' ' 97' ' ' SER . 4.2 mm? -115.67 75.65 5.27 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.529 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.73 -19.68 20.92 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.483 2.122 . . . . 0.0 111.842 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 75.1 p -93.95 -37.4 11.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.958 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.843 ' HB2' HD12 ' B' ' 94' ' ' LEU . 2.7 t -56.92 -50.01 73.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.657 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.436 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -51.82 -33.8 37.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -31.47 69.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 42.7 mt -72.68 -50.13 36.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.49 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 47.9 m-85 -62.43 -30.11 71.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.441 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 6.9 tt0 -60.63 -42.29 96.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.541 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.05 -23.27 52.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.622 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.53 -50.14 47.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.5 p90 -62.59 -35.17 78.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.759 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.48 ' HA ' HD12 ' B' ' 109' ' ' LEU . 0.2 OUTLIER -72.7 -31.85 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.762 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -66.85 -50.12 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.809 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.05 -31.04 68.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.526 HD23 ' ND2' ' A' ' 42' ' ' ASN . 1.4 mt -60.19 -49.96 75.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -65.18 -24.0 67.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.966 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -62.77 -16.73 59.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.31 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -47.64 -28.74 2.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 3.1 m -92.13 161.7 14.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.811 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -133.97 170.72 15.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -90.77 61.72 4.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -167.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.025 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 10.5 t 61.98 114.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -112.58 -54.09 2.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -98.48 28.99 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 63.63 16.11 9.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.326 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.3 131.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.871 0.367 . . . . 0.0 111.064 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' LYS . . . . . 0.421 ' CB ' ' CD ' ' B' ' 123' ' ' PRO . 0.1 OUTLIER -177.81 -61.84 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.807 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 123' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' B' ' 122' ' ' LYS . 73.1 Cg_endo -75.81 149.16 33.14 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.586 2.191 . . . . 0.0 112.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.23 80.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.847 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.65 141.33 45.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.07 -48.93 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.33 30.58 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.86 97.68 5.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 24.6 m -116.61 102.1 9.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.56 127.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 mp -142.42 31.4 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.92 166.56 16.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.03 -53.74 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 5.5 t -60.78 -45.31 94.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.12 133.16 53.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -156.27 -68.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.785 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 25.9 mt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.12 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -127.47 155.22 44.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.8 mmm -151.9 31.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttt -142.75 93.14 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 p -132.3 37.16 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.1 mttt 60.88 157.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 mt -146.04 32.1 1.02 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.448 ' HB3' HD12 ' A' ' 6' ' ' LEU . 33.6 t80 -114.03 -37.76 4.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.674 HD21 ' HA2' ' A' ' 18' ' ' GLY . 5.7 mp -99.04 28.1 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -124.38 -42.52 2.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.796 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.03 -56.84 10.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 10' ' ' PRO . 3.7 pp -60.52 160.49 18.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.632 ' O ' HD12 ' A' ' 9' ' ' LEU . 76.4 Cg_exo -50.39 157.18 3.4 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.524 2.149 . . . . 0.0 112.349 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.58 -33.87 64.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 m -59.95 -50.0 75.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.09 -30.88 67.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.35 -25.61 49.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -43.24 66.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' O ' HG22 ' A' ' 19' ' ' THR . 0.1 OUTLIER -76.67 -33.28 58.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.983 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.728 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.8 mt -77.29 -33.26 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.979 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.674 ' HA2' HD21 ' A' ' 6' ' ' LEU . . . -68.77 -31.66 73.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.823 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 16' ' ' LYS . 5.8 t -70.97 -38.09 72.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.733 0.301 . . . . 0.0 111.012 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 21' ' ' VAL . 12.4 p -80.36 -44.97 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.238 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.815 HG13 HD22 ' A' ' 28' ' ' LEU . 97.2 t -59.94 -34.82 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.212 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -51.99 -29.29 20.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.811 0.338 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.433 ' O ' HD22 ' A' ' 24' ' ' LEU . 30.1 t -80.04 -42.51 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.065 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.88 HD12 ' HB2' ' A' ' 27' ' ' SER . 4.0 mm? -119.47 75.7 17.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.459 ' HA ' ' CD2' ' A' ' 28' ' ' LEU . 60.1 Cg_endo -72.19 -7.11 20.39 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.556 2.171 . . . . 0.0 112.085 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.65 -27.46 9.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.071 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.88 ' HB2' HD12 ' A' ' 24' ' ' LEU . 3.8 t -70.62 -49.51 46.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.633 0.254 . . . . 0.0 111.138 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.815 HD22 HG13 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -46.1 -29.52 1.55 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 -179.693 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -59.06 -47.71 84.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 27' ' ' SER . 3.2 mt -59.81 -35.34 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.772 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -72.28 -31.87 66.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.03 -31.8 70.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.517 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.68 -50.15 53.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.527 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 35' ' ' TYR . 4.1 pp -72.74 -26.76 61.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.503 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.66 ' N ' HD12 ' A' ' 34' ' ' LEU . 1.3 t80 -70.48 -46.56 63.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.463 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -80.08 -36.67 35.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -59.87 -50.13 74.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.6 -28.98 66.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.228 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 22.5 mt -77.4 -32.16 54.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -65.1 -30.92 71.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -58.92 -26.96 64.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -56.87 -30.97 64.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 t -121.38 142.48 49.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -138.67 31.87 2.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -91.75 136.82 32.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -89.32 -38.54 14.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 p -111.91 93.25 4.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -124.37 -44.42 2.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -149.11 103.66 3.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -146.09 108.2 4.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.817 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -141.44 28.69 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.65 154.69 21.47 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.797 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.99 135.97 31.25 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.599 2.199 . . . . 0.0 112.342 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -128.18 104.52 7.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.06 120.13 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -112.97 -56.79 2.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.8 t0 63.86 136.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.12 -55.78 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.989 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 m -155.42 -49.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -156.06 -46.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.2 tp -176.73 38.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -121.95 167.93 12.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.999 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' O ' HD23 ' A' ' 62' ' ' LEU . 12.2 mtpp -121.09 161.84 21.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -154.47 -46.24 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -82.89 167.95 17.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.5 -178.28 3.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.7 mt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.102 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -90.43 98.07 11.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 2.3 mtt 60.87 92.26 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.44 117.82 33.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -100.18 110.25 22.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.79 117.37 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 23.9 mt -138.77 35.55 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.649 ' CE2' HD12 ' B' ' 76' ' ' LEU . 28.0 p90 -140.93 -48.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.649 HD12 ' CE2' ' B' ' 75' ' ' PHE . 0.4 OUTLIER -72.04 -16.11 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.09 28.73 3.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.091 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -142.04 -49.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.492 HD12 ' O ' ' B' ' 79' ' ' LEU . 0.3 OUTLIER -51.71 164.33 0.54 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.544 179.681 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.486 ' HB2' HD12 ' B' ' 83' ' ' LEU . 93.3 Cg_exo -42.43 94.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.458 2.105 . . . . 0.0 112.418 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -46.71 -29.57 1.96 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.359 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 5.0 t -61.89 -45.26 94.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.65 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.486 HD12 ' HB2' ' B' ' 80' ' ' PRO . 11.4 mt -79.94 -33.03 40.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.815 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.6 ' HA ' HD12 ' B' ' 87' ' ' ILE . 35.2 t -47.7 -29.02 2.72 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.282 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -57.3 -43.8 83.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.443 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -80.18 -15.52 56.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.311 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.873 ' O ' HG23 ' B' ' 91' ' ' VAL . 31.7 mt -79.81 -49.95 18.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.88 0.371 . . . . 0.0 111.352 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.08 -25.32 38.5 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.958 -0.639 . . . . 0.0 113.018 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.443 HG22 ' O ' ' B' ' 86' ' ' LYS . 5.8 t -80.09 -39.8 28.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.705 0.288 . . . . 0.0 111.309 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.507 HG21 ' OG ' ' A' ' 27' ' ' SER . 13.8 p -80.17 -38.37 18.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.383 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.873 HG23 ' O ' ' B' ' 87' ' ' ILE . 47.6 t -55.95 -29.67 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.153 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -34.86 62.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.675 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 45.9 t -80.03 -45.0 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.909 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.812 HD23 ' CB ' ' B' ' 97' ' ' SER . 3.0 mp -116.34 70.43 4.3 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.01 -3.54 13.98 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.597 2.198 . . . . 0.0 112.479 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.15 -33.9 6.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 0.0 111.024 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.812 ' CB ' HD23 ' B' ' 94' ' ' LEU . 8.6 t -68.94 -37.96 79.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.947 HD13 ' N ' ' B' ' 99' ' ' GLU . 0.0 OUTLIER -59.03 -19.24 41.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.947 ' N ' HD13 ' B' ' 98' ' ' LEU . 0.7 OUTLIER -71.71 -31.13 66.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.831 0.348 . . . . 0.0 110.847 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 44.8 mt -70.99 -37.03 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.993 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -73.74 -31.47 63.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 0.6 OUTLIER -60.3 -49.95 75.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.639 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -70.56 -25.79 63.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.514 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -50.06 65.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.2 p90 -65.72 -29.68 70.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.723 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.705 ' HA ' HD12 ' B' ' 109' ' ' LEU . 0.1 OUTLIER -78.3 -33.4 49.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -64.39 -50.18 68.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.776 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.53 -23.36 62.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.319 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' B' ' 106' ' ' LYS . 17.5 mt -72.78 -28.89 62.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.106 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -72.1 -45.2 61.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.02 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.67 -31.43 71.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -73.0 -31.41 64.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 74.4 m -97.61 131.33 44.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.99 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 62.91 120.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -118.69 -44.91 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 37.4 mtm-85 -138.32 -175.08 3.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.18 137.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -171.87 50.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -106.22 169.5 8.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -130.21 93.44 3.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 27.8 mttt 60.47 172.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -110.87 95.77 25.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -52.07 -176.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.468 2.112 . . . . 0.0 112.244 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.74 160.02 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -168.28 136.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -95.56 -179.71 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.48 -178.96 6.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.07 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 5.0 t -96.79 -59.5 1.79 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 1.2 m -113.83 109.9 19.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -153.11 -174.76 5.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.3 mt 60.29 36.12 20.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.3 mt -117.69 -54.29 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -118.54 -178.41 3.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 4.0 p -148.65 110.53 4.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.53 -34.13 65.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.77 -76.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 18.7 pt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.157 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -92.42 78.82 4.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -134.66 67.52 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 mtt -111.93 150.98 29.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -85.26 161.76 19.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.0 pttp -137.06 31.04 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.59 86.59 4.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -167.95 -43.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.504 HD23 ' OG ' ' A' ' 14' ' ' SER . 6.7 mp -87.25 -29.95 21.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -30.64 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -80.35 -32.64 37.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.886 HD11 HD11 ' B' ' 104' ' ' LEU . 15.5 mt -78.7 160.38 72.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.83 -166.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.587 2.191 . . . . 0.0 112.238 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -101.81 -32.11 10.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -39.83 81.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.02 -47.02 21.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.504 ' OG ' HD23 ' A' ' 6' ' ' LEU . 19.4 t -52.08 -26.55 11.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.226 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -70.05 -44.12 69.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.75 ' O ' HG22 ' A' ' 19' ' ' THR . 0.0 OUTLIER -79.97 -43.13 22.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.8 mt -64.71 -30.1 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.5 -46.61 93.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.827 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.75 HG22 ' O ' ' A' ' 16' ' ' LYS . 10.6 t -60.57 -31.56 70.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.825 0.345 . . . . 0.0 111.083 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.9 t -80.33 -45.53 22.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.214 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 17' ' ' ILE . 61.7 t -55.84 -31.77 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -31.28 50.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.792 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.3 t -80.12 -49.99 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.001 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.693 HD23 ' CB ' ' A' ' 27' ' ' SER . 1.6 mp -110.95 74.82 1.01 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.309 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.519 ' HA ' HD23 ' A' ' 28' ' ' LEU . 73.0 Cg_endo -75.9 -8.58 19.12 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.48 2.12 . . . . 0.0 112.33 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.2 p -108.73 -37.04 6.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.039 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.693 ' CB ' HD23 ' A' ' 24' ' ' LEU . 14.9 t -61.99 -34.94 77.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.731 HD22 HG13 ' A' ' 21' ' ' VAL . 1.5 pp -58.94 -28.82 66.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.846 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -38.64 70.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.949 0.404 . . . . 0.0 110.631 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -72.53 -37.28 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.558 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -72.44 -38.44 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.681 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.443 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -61.94 -41.01 97.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.381 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -31.25 58.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.429 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 34' ' ' LEU . 2.9 tt -60.15 -50.02 75.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.605 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -70.77 -25.34 62.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.939 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -69.48 -50.12 48.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.281 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.424 ' CE2' ' HA ' ' A' ' 34' ' ' LEU . 1.3 p90 -70.46 -30.58 67.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.817 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.89 -30.9 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.019 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.415 HD21 ' HB1' ' B' ' 108' ' ' ALA . 4.4 mt -67.38 -36.3 81.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -60.12 -31.14 69.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.972 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -65.73 -31.6 72.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -66.8 -33.24 75.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.812 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.2 m -100.59 109.27 21.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -162.25 123.28 2.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -87.43 169.05 12.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 140.73 48.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -92.92 179.58 5.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -111.26 -45.65 3.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -151.16 83.45 1.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.89 37.39 4.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -131.0 112.22 12.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.52 141.42 33.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.75 176.42 9.84 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.516 2.144 . . . . 0.0 112.419 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -108.78 120.53 42.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.4 mm -111.74 106.0 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.19 -55.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.98 166.53 11.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 m -130.73 -63.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 p -151.81 134.53 15.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.46 -40.11 6.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.08 179.69 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.3 mp -108.67 113.43 26.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.61 173.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -98.93 31.48 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.991 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -83.87 -56.56 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -128.92 169.42 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.061 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -110.29 149.93 29.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 52.8 mtt -107.17 77.24 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 2.4 mtt 60.18 173.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.8 t -137.56 122.49 18.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.64 -177.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.765 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 mp -141.01 26.47 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.617 ' O ' HD23 ' B' ' 79' ' ' LEU . 27.3 p90 -79.98 -10.45 59.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.173 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.444 ' HG ' ' CE1' ' B' ' 75' ' ' PHE . 1.0 OUTLIER -97.45 27.02 4.49 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.719 0.295 . . . . 0.0 110.975 179.832 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.27 -47.6 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.738 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -68.02 -59.29 3.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.799 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.617 HD23 ' O ' ' B' ' 75' ' ' PHE . 2.7 pp -54.07 168.66 0.42 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.449 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.547 ' N ' HD12 ' B' ' 79' ' ' LEU . 89.8 Cg_exo -44.96 93.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.339 2.026 . . . . 0.0 112.406 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.09 -25.77 9.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.247 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 48.1 t -64.5 -36.93 85.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.699 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 71.7 mt -80.11 -36.93 34.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.989 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.4 p -55.95 -28.81 58.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.007 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -37.26 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.603 ' O ' HG22 ' B' ' 89' ' ' THR . 25.7 mtpt -80.09 -30.8 39.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.885 ' O ' HG23 ' B' ' 91' ' ' VAL . 41.7 mt -70.49 -37.37 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.92 -48.03 87.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.798 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.603 HG22 ' O ' ' B' ' 86' ' ' LYS . 11.8 t -59.87 -31.76 70.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.657 0.265 . . . . 0.0 111.12 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 86' ' ' LYS . 38.5 t -80.08 -43.85 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.022 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 1.015 HG11 HD12 ' B' ' 98' ' ' LEU . 49.5 t -58.58 -31.06 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -52.8 -32.05 41.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.058 0.456 . . . . 0.0 110.709 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.568 ' O ' HD22 ' B' ' 94' ' ' LEU . 49.0 t -80.1 -37.6 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.041 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.847 HD12 ' HB2' ' B' ' 97' ' ' SER . 4.0 mm? -123.71 71.63 50.14 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.32 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.94 -15.27 43.31 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.411 2.074 . . . . 0.0 111.832 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.6 p -96.21 -38.42 10.14 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.847 ' HB2' HD12 ' B' ' 94' ' ' LEU . 4.4 t -59.06 -46.73 87.53 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.919 0.39 . . . . 0.0 110.8 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 1.015 HD12 HG11 ' B' ' 91' ' ' VAL . 0.2 OUTLIER -45.19 -39.53 6.32 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.428 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -54.6 -48.09 72.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.065 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' B' ' 97' ' ' SER . 2.3 mp -63.87 -36.39 76.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -73.11 -29.4 62.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.969 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 3.5 mt-10 -57.42 -41.99 81.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -79.02 -25.96 43.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.886 HD11 HD11 ' A' ' 9' ' ' LEU . 1.7 tt -66.5 -49.93 64.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.9 OUTLIER -68.3 -32.16 72.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.41 -31.3 63.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -58.52 -49.34 77.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.415 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -64.08 -28.84 70.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 97.5 mt -74.06 -42.53 60.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -57.23 -24.66 56.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -61.57 -18.06 57.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.356 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -50.34 -26.83 5.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.736 0.303 . . . . 0.0 111.38 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 3.3 p -142.2 -72.41 0.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 63.01 18.73 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.243 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 53.3 179.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.52 143.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 82.1 p -146.7 20.69 1.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 61.44 -81.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.032 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.37 139.41 21.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.785 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.93 -64.49 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.05 163.36 33.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -162.11 79.34 1.96 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -51.85 173.24 0.11 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.587 2.191 . . . . 0.0 112.41 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.0 102.37 3.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 15.8 mt 50.76 79.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -163.62 31.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.57 -172.76 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 69.1 p -113.42 170.88 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.09 143.55 28.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -129.97 147.89 51.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.4 mp -82.48 -31.99 29.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.5 mt -111.1 175.39 5.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -155.88 -45.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 2.7 p -97.54 93.51 6.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -124.93 145.94 49.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -126.5 32.49 5.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.226 -0.893 . . . . 0.0 111.079 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.65 121.56 12.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.3 mtt -118.08 -40.94 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -101.9 79.28 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 t -173.97 119.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -139.22 51.05 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.99 93.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -167.31 -57.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.463 HD21 ' CA ' ' A' ' 18' ' ' GLY . 5.5 mp -71.81 -27.05 62.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.18 -44.92 84.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.038 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.06 -66.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.517 HD13 HD12 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -54.86 157.99 5.01 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.86 151.95 14.55 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.649 2.233 . . . . 0.0 112.276 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -30.53 65.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.8 p -57.67 -47.31 82.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.055 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.98 -35.12 37.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.9 t -53.02 -27.33 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.256 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -44.62 90.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.179 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.742 ' O ' HG23 ' A' ' 20' ' ' VAL . 24.1 mttt -79.96 -42.63 23.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.728 ' O ' HG23 ' A' ' 21' ' ' VAL . 68.5 mt -59.61 -47.13 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.076 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.463 ' CA ' HD21 ' A' ' 6' ' ' LEU . . . -63.27 -26.19 69.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.664 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.02 -29.04 39.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.744 0.307 . . . . 0.0 111.319 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 16' ' ' LYS . 20.1 t -80.06 -30.1 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.588 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.861 HG22 ' CD1' ' A' ' 28' ' ' LEU . 22.0 t -53.46 -33.35 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.231 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -56.29 -28.16 57.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.879 HG12 HD21 ' B' ' 94' ' ' LEU . 23.6 t -79.99 -30.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.77 HD12 ' HB2' ' B' ' 94' ' ' LEU . 2.8 mt -145.49 69.53 13.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.187 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.05 -8.9 24.58 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.304 2.003 . . . . 0.0 111.724 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.49 -35.28 9.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.698 ' CB ' HD13 ' A' ' 24' ' ' LEU . 41.6 t -67.64 -41.35 84.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.861 0.362 . . . . 0.0 110.815 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.861 ' CD1' HG22 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -52.88 -28.72 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -60.25 -29.16 68.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.4 mt -79.48 -44.8 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.209 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 16.6 m-85 -64.78 -45.13 87.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.057 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 22.4 pt-20 -58.52 -41.65 85.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -76.67 -25.7 54.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.012 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 34' ' ' LEU . 4.5 tt -68.23 -50.03 56.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.455 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.2 p90 -66.67 -41.53 87.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.443 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -61.56 -36.22 80.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -66.91 -50.03 63.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.8 -23.71 66.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.386 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.5 mt -76.27 -29.61 57.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -73.04 -36.14 66.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.156 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -26.45 68.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -57.21 -30.78 64.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 m -69.26 175.56 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -90.35 148.35 22.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -135.89 117.99 15.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -152.23 -177.69 6.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.8 p 52.3 77.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.03 -40.89 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.805 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -153.97 -175.15 5.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -67.6 -171.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.71 114.4 26.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.98 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.69 112.28 12.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.761 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -51.35 144.96 29.32 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.453 2.102 . . . . 0.0 112.293 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -93.09 66.52 4.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 55' ' ' ILE . 9.0 tp -155.8 116.81 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -90.57 -32.9 16.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.37 143.89 30.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.7 -167.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.75 -61.95 0.46 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 75.88 -66.03 0.29 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.816 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.2 mt 68.5 -67.06 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.99 154.07 40.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.843 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.83 -177.99 3.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 t -152.27 131.46 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -122.78 -43.78 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.35 158.1 18.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.817 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.113 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 60.6 80.21 0.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 8.7 mtm -158.76 31.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.32 101.2 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.6 p -173.61 169.57 4.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.64 85.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 16.2 mt -145.4 28.51 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.509 ' O ' HD21 ' B' ' 79' ' ' LEU . 53.6 p90 -134.52 25.19 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.526 ' HA ' HD11 ' B' ' 79' ' ' LEU . 36.6 mt -133.54 12.43 4.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.261 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.71 -41.38 2.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.779 0.323 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -69.78 -60.95 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' B' ' 76' ' ' LEU . 0.3 OUTLIER -49.72 163.61 0.39 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.827 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 90.9 Cg_exo -44.28 93.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.552 2.168 . . . . 0.0 112.419 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.92 -23.98 21.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.236 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 3.0 m -57.29 -41.49 79.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mp -80.02 -30.87 39.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.645 ' HA ' HD12 ' B' ' 87' ' ' ILE . 0.4 OUTLIER -49.45 -28.44 5.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -45.3 93.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.738 ' O ' HG22 ' B' ' 89' ' ' THR . 7.3 mtpt -80.04 -30.24 39.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.892 ' O ' HG23 ' B' ' 91' ' ' VAL . 34.1 mt -67.26 -44.7 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.18 -45.07 57.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.818 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.738 HG22 ' O ' ' B' ' 86' ' ' LYS . 14.6 t -64.45 -30.94 71.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.602 HG23 ' O ' ' B' ' 86' ' ' LYS . 24.9 t -80.22 -38.41 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.228 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 87' ' ' ILE . 20.2 t -55.21 -38.83 48.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.348 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -27.63 10.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.432 HG12 ' CD2' ' B' ' 94' ' ' LEU . 17.8 t -80.0 -49.94 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.879 HD21 HG12 ' A' ' 23' ' ' VAL . 4.2 mm? -120.56 72.97 21.71 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.6 -10.58 28.19 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.439 2.093 . . . . 0.0 112.237 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.7 p -104.16 -31.45 9.62 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.07 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.839 ' HB2' HD12 ' B' ' 94' ' ' LEU . 4.0 t -67.3 -43.5 81.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.582 HD12 HG22 ' B' ' 91' ' ' VAL . 0.6 OUTLIER -53.68 -27.31 26.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.204 -179.766 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.09 -35.72 73.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.776 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.596 HG21 HG12 ' A' ' 17' ' ' ILE . 34.5 mt -80.08 -33.93 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 25.1 m-85 -75.56 -42.86 51.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.431 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 12.3 pt-20 -55.95 -41.48 74.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.766 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -78.67 -17.6 55.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.457 HD11 HD22 ' A' ' 9' ' ' LEU . 1.4 tt -75.7 -50.15 16.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.088 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.431 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 2.2 p90 -61.32 -39.39 90.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.894 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.411 ' N ' ' CD1' ' B' ' 105' ' ' TYR . 0.8 OUTLIER -68.69 -31.4 70.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.787 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -60.41 -50.04 75.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.18 63.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -36.85 77.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -73.25 -31.2 63.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.19 -36.15 81.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.0 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.05 -34.79 37.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 12.8 t -77.51 -67.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.95 -175.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.86 28.78 18.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.85 98.26 9.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.86 106.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.772 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -77.81 -4.44 46.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.442 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 63.99 33.91 11.89 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -87.49 -30.68 20.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.46 -176.24 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 122' ' ' LYS . . . . . 0.486 ' CB ' ' HD3' ' B' ' 123' ' ' PRO . 4.4 tptt -156.32 -58.38 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 123' ' ' PRO . . . . . 0.486 ' HD3' ' CB ' ' B' ' 122' ' ' LYS . 51.7 Cg_exo -54.96 156.93 14.23 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.188 1.925 . . . . 0.0 112.139 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -89.02 102.1 14.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 8.9 tp -106.31 153.33 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.993 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -161.06 -41.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 74.48 104.72 0.07 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 80.5 p -147.44 -175.09 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 84.7 p -149.52 84.37 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -126.7 114.11 17.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.85 -169.08 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 3.2 tp -63.5 -177.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -113.82 172.94 6.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.11 84.6 2.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -134.39 -46.96 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -128.88 143.9 51.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.318 -0.848 . . . . 0.0 111.029 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -128.31 38.92 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.2 ptp -132.95 147.41 52.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtm -153.45 156.78 38.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.32 83.92 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -124.0 77.67 1.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.09 27.0 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.501 ' CE2' HD13 ' A' ' 6' ' ' LEU . 17.9 p90 -121.67 -40.53 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.96 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.678 ' HA ' HD12 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -69.05 -33.65 73.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.64 -29.19 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -96.99 37.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 6' ' ' LEU . 29.9 mt -136.85 151.25 72.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.2 162.99 1.74 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.477 2.118 . . . . 0.0 112.279 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -84.2 -31.49 25.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -49.1 78.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.35 -44.08 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.6 m -50.09 -27.39 5.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.274 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.1 mtp85 -69.44 -48.21 61.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.706 ' O ' HG23 ' A' ' 20' ' ' VAL . 87.4 mttt -73.69 -40.04 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.906 ' O ' HG23 ' A' ' 21' ' ' VAL . 65.7 mt -64.65 -50.18 76.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.798 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.72 -25.97 56.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.425 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -34.67 37.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.675 0.274 . . . . 0.0 111.124 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 16' ' ' LYS . 23.3 t -80.04 -32.2 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.59 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 17' ' ' ILE . 42.3 t -50.14 -39.05 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.813 0.34 . . . . 0.0 111.265 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.57 -28.36 8.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.921 HG12 HD11 ' B' ' 94' ' ' LEU . 25.9 t -80.1 -32.87 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.825 HD13 ' CB ' ' A' ' 27' ' ' SER . 3.6 mt -144.32 70.85 16.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.408 . . . . 0.0 111.444 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.83 -12.65 35.04 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.257 1.972 . . . . 0.0 111.488 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 p -96.81 -40.55 8.88 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.033 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.825 ' CB ' HD13 ' A' ' 24' ' ' LEU . 13.3 t -59.93 -42.39 93.88 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.808 0.337 . . . . 0.0 110.705 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.569 HD12 HG22 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -54.07 -34.46 60.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.16 -27.01 65.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.449 HG21 HG12 ' B' ' 87' ' ' ILE . 40.1 mt -73.28 -50.11 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.205 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -59.97 -34.3 73.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -57.2 -50.16 73.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.824 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -41.73 95.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.665 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mt -65.77 -46.86 77.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.578 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -35.33 79.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.677 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -79.95 -32.62 39.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.837 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -66.62 -49.16 67.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.48 -21.08 35.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.541 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.1 mt -73.65 -28.91 62.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -79.93 -41.6 25.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.934 0.397 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -27.8 63.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.69 -32.44 70.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.5 p -129.39 -177.32 4.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.988 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -142.83 114.94 8.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -139.87 31.58 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.36 106.5 10.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.81 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.92 89.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.66 165.09 11.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.816 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -82.13 158.14 23.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.56 41.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.91 152.96 24.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -140.61 142.32 28.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.99 109.78 2.99 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.542 2.161 . . . . 0.0 112.283 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.87 121.89 46.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mp -109.93 -46.99 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 61.06 115.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.9 -32.44 34.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -131.49 96.95 4.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.38 141.51 29.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.04 139.92 50.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.541 ' O ' HD23 ' A' ' 61' ' ' LEU . 3.0 tt -107.36 -27.99 10.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 mt 63.86 145.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.729 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' O ' HG22 ' A' ' 64' ' ' THR . 0.5 OUTLIER 68.77 -66.96 0.22 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 63' ' ' LYS . 14.9 t 45.45 -168.06 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.404 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.86 170.18 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 60.14 60.76 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.152 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -68.99 105.45 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 60.27 171.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 3.4 ttm -120.95 130.01 53.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.5 m -78.26 176.8 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -102.41 -177.99 3.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 mt -179.79 -35.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.544 ' O ' HD23 ' B' ' 79' ' ' LEU . 51.7 p90 -82.62 3.35 29.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.573 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 82.6 mt -98.78 -28.34 13.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.802 0.334 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.51 -40.51 70.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.081 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.86 -68.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.588 HD12 ' N ' ' B' ' 80' ' ' PRO . 2.0 pp -51.86 171.4 0.19 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.512 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.588 ' N ' HD12 ' B' ' 79' ' ' LEU . 86.3 Cg_exo -47.08 91.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.316 2.011 . . . . 0.0 112.354 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -51.97 -27.31 12.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.254 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -40.77 89.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.687 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.07 -36.48 35.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.801 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 31.3 m -51.03 -27.26 7.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.268 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -58.97 -41.99 88.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.741 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -80.17 -30.2 38.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.856 ' O ' HG23 ' B' ' 91' ' ' VAL . 32.1 mt -69.28 -37.16 75.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.019 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.27 -42.05 95.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.728 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.741 HG22 ' O ' ' B' ' 86' ' ' LYS . 13.3 t -66.31 -28.75 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.761 0.315 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 86' ' ' LYS . 21.5 t -80.06 -35.11 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.258 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.856 HG23 ' O ' ' B' ' 87' ' ' ILE . 21.7 t -58.31 -32.43 44.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -56.76 -30.34 63.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.109 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.605 ' O ' HD12 ' B' ' 94' ' ' LEU . 20.6 t -79.99 -38.23 18.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.305 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.921 HD11 HG12 ' A' ' 23' ' ' VAL . 6.6 mp -134.3 70.35 73.18 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.26 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.45 -23.96 27.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.494 2.129 . . . . 0.0 111.959 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.8 m -86.91 -31.77 20.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.823 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.622 ' CB ' HD23 ' B' ' 94' ' ' LEU . 3.8 t -66.08 -46.79 76.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.749 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.411 HD12 HG22 ' B' ' 91' ' ' VAL . 0.6 OUTLIER -49.97 -30.0 9.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.307 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.69 -48.02 78.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.68 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' B' ' 97' ' ' SER . 2.1 mp -63.69 -39.79 86.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.419 ' CZ ' ' HG ' ' A' ' 28' ' ' LEU . 30.3 m-85 -72.64 -28.38 62.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.933 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -54.69 -44.0 73.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 0.0 110.741 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -23.4 41.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.733 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.669 HD21 HD21 ' A' ' 9' ' ' LEU . 1.2 tt -70.31 -50.27 41.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.107 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.38 -31.84 71.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.703 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -80.09 -31.98 39.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.671 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -60.63 -50.06 75.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.746 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.37 -21.35 49.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.268 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.54 -26.93 45.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.013 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.98 -33.41 39.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.127 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -20.79 56.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.278 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -51.04 -31.66 19.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.823 0.344 . . . . 0.0 111.223 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 39.7 t -160.85 88.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -70.14 -31.23 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -69.03 123.41 20.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -86.79 -34.05 19.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 1.4 m -165.68 32.67 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -59.87 118.01 5.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.42 83.46 2.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.14 30.54 5.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -167.61 90.66 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -161.4 100.24 1.23 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.14 141.63 53.17 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.464 2.109 . . . . 0.0 112.264 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.42 76.61 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 5.4 tp -147.46 140.32 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -142.29 135.99 29.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.63 -172.97 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.4 m -76.69 95.76 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.06 103.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.8 42.03 13.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 mt 61.59 -177.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 61.01 83.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.02 82.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 55.6 p -141.77 135.82 30.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -111.5 129.12 56.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 60.4 -176.12 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 22.8 mt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.066 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.592 -0.203 . . . . 0.0 112.592 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -1' ' ' HIS . . . . . 0.48 ' CD2' ' HG3' ' A' ' 1' ' ' MET . 36.2 p-80 -110.42 162.85 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.7 mtt -108.07 124.02 49.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.48 ' HG3' ' CD2' ' A' ' -1' ' ' HIS . 1.1 mtp -126.98 57.36 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.3 p -159.38 84.58 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 37.56 2.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.99 -31.17 69.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -92.19 -13.94 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' HA ' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -93.77 20.1 7.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.758 0.313 . . . . 0.0 111.225 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -117.02 -23.02 8.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.203 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -96.51 37.48 1.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.773 0.321 . . . . 0.0 111.04 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 10' ' ' PRO . 2.9 pp -149.45 160.26 34.8 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.487 ' O ' HD12 ' A' ' 9' ' ' LEU . 65.9 Cg_exo -51.17 -177.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.575 2.184 . . . . 0.0 112.497 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.45 -27.15 13.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 m -77.78 -33.34 52.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -30.27 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.97 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -28.15 40.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.164 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -74.15 -35.81 64.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' O ' HG22 ' A' ' 19' ' ' THR . 12.2 mtmm -80.01 -29.48 39.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.931 ' O ' HG23 ' A' ' 21' ' ' VAL . 28.9 mt -79.95 -48.28 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.35 -25.15 62.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.988 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 16' ' ' LYS . 10.2 t -79.97 -39.49 29.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.721 0.296 . . . . 0.0 111.352 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.617 HG21 ' OG ' ' B' ' 97' ' ' SER . 14.3 p -72.14 -31.22 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.203 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 17' ' ' ILE . 40.0 t -55.05 -30.92 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.745 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -27.99 62.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.728 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.588 HG12 HD22 ' A' ' 24' ' ' LEU . 46.7 t -78.09 -50.13 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.933 HD23 HD13 ' B' ' 94' ' ' LEU . 4.0 mm? -117.18 77.12 9.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.54 -8.24 22.21 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.564 2.176 . . . . 0.0 112.283 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -110.12 -31.76 7.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.017 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.761 ' HB2' HD12 ' A' ' 24' ' ' LEU . 1.7 t -64.86 -48.26 74.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.786 HD13 HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -47.46 -29.22 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.218 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -33.22 68.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.724 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.408 HG21 HG12 ' B' ' 87' ' ' ILE . 13.9 mt -80.24 -40.61 20.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.471 ' CE1' HD11 ' B' ' 98' ' ' LEU . 12.2 m-85 -69.4 -45.92 68.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.066 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.417 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -55.31 -38.68 69.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.786 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -80.03 -23.07 41.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.732 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.475 ' O ' HD23 ' A' ' 34' ' ' LEU . 1.5 tt -70.02 -50.07 45.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.417 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 1.6 p90 -66.81 -31.0 71.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.957 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -31.52 67.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -59.65 -50.08 75.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.65 -19.42 65.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.335 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.459 HD23 ' OD1' ' B' ' 112' ' ' ASN . 0.2 OUTLIER -78.97 -29.51 43.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.851 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -78.04 -41.25 36.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -26.81 65.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -30.67 65.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.64 -176.24 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.6 m120 60.35 175.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.39 -78.0 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -171.86 57.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.123 0.487 . . . . 0.0 110.812 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.3 t 59.38 -171.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -138.17 -59.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -101.77 165.23 11.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.782 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -128.53 88.36 2.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.78 75.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.787 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -126.7 94.0 41.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.31 87.03 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.428 2.086 . . . . 0.0 112.368 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -145.58 169.25 18.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.5 mp -136.11 105.42 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.75 97.92 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.32 55.56 3.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -141.26 93.81 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -93.25 82.97 4.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.825 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -153.25 154.16 34.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.01 -59.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.15 -178.62 3.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -123.69 151.99 42.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.4 p -88.98 53.3 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -111.49 84.24 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 67' ' ' ILE . 6.9 mt-10 -80.56 178.1 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 66' ' ' GLU . 4.6 tt . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.464 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -127.51 -72.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.335 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -91.49 78.53 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.11 -46.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.91 34.09 3.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -123.74 111.0 15.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.73 -41.99 2.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.99 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.63 ' CE2' HD22 ' B' ' 98' ' ' LEU . 34.9 p90 -70.86 64.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.825 HD23 ' OG ' ' B' ' 84' ' ' SER . 0.2 OUTLIER -176.95 -39.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -89.0 -30.84 18.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -88.73 -64.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.962 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.763 HD11 ' HA ' ' B' ' 76' ' ' LEU . 1.4 pp -46.74 162.45 0.26 Allowed Pre-proline 0 N--CA 1.462 0.165 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.812 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 90.9 Cg_exo -42.79 93.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.592 2.195 . . . . 0.0 112.465 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -51.32 -26.83 8.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.356 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 7.6 p -59.67 -37.5 78.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.906 0.384 . . . . 0.0 110.707 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 61.2 mt -80.05 -27.28 39.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.789 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.825 ' OG ' HD23 ' B' ' 76' ' ' LEU . 3.2 t -54.82 -36.24 64.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.998 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -39.37 81.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.689 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.901 ' O ' HG22 ' B' ' 89' ' ' THR . 0.2 OUTLIER -79.99 -45.47 18.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.591 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.918 ' O ' HG23 ' B' ' 91' ' ' VAL . 34.4 mt -63.58 -33.4 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.707 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.44 -28.37 62.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.095 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.901 HG22 ' O ' ' B' ' 86' ' ' LYS . 9.7 t -80.07 -34.58 37.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.822 0.311 . . . . 0.0 111.471 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.424 HG12 ' O ' ' B' ' 87' ' ' ILE . 15.0 p -80.4 -36.28 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.752 0.31 . . . . 0.0 111.171 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 87' ' ' ILE . 61.2 t -57.81 -26.09 27.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.31 -43.37 83.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.987 0.422 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 47.3 t -80.25 -27.27 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.578 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.933 HD13 HD23 ' A' ' 24' ' ' LEU . 12.6 tp -129.49 55.54 19.02 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.249 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' B' ' 94' ' ' LEU . 88.7 Cg_endo -82.47 -2.66 11.15 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.696 2.264 . . . . 0.0 112.543 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 13.3 t -103.26 -36.86 7.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.242 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.617 ' OG ' HG21 ' A' ' 20' ' ' VAL . 3.6 t -66.71 -46.73 74.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.797 0.332 . . . . 0.0 111.019 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.63 HD22 ' CE2' ' B' ' 75' ' ' PHE . 0.2 OUTLIER -45.57 -29.66 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.465 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -57.64 -36.87 72.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.373 . . . . 0.0 110.787 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.554 HD12 ' O ' ' B' ' 97' ' ' SER . 3.0 mp -74.68 -33.82 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -73.96 -30.7 62.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.448 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -59.82 -49.41 77.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.572 179.831 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -19.47 61.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.91 -50.04 26.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.043 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.559 ' O ' HD12 ' B' ' 109' ' ' LEU . 1.7 p90 -62.11 -28.54 69.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.914 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.447 ' CG ' ' CE1' ' B' ' 105' ' ' TYR . 6.8 mtpm? -77.3 -32.27 55.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.823 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -67.47 -50.11 60.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.01 -29.9 69.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.061 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.559 HD12 ' O ' ' B' ' 105' ' ' TYR . 0.2 OUTLIER -64.37 -31.66 72.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -77.16 -32.38 56.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.16 -32.41 73.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ASN . . . . . 0.459 ' OD1' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -74.09 -33.31 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 18.3 m -108.74 83.73 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -98.72 33.33 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -174.05 84.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -78.1 71.59 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 1.5 m -142.82 107.17 4.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.75 166.28 22.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -67.77 115.06 6.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.68 -40.84 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -84.95 55.98 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.967 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' LYS . . . . . 0.44 ' CB ' ' HD3' ' B' ' 123' ' ' PRO . 4.6 mtpt -85.34 -60.66 0.28 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' PRO . . . . . 0.44 ' HD3' ' CB ' ' B' ' 122' ' ' LYS . 87.1 Cg_endo -80.91 55.5 5.71 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.526 2.151 . . . . 0.0 112.394 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -70.39 110.41 5.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 2.5 tt -162.98 133.23 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -93.32 -23.26 18.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.98 113.92 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.39 167.09 20.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.804 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 89.9 p -91.49 92.02 8.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -76.34 -179.7 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.93 -39.01 52.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.51 123.81 31.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.09 144.2 44.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 67.6 p -108.53 38.25 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.1 t70 63.55 126.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -67.94 158.65 32.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.128 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -1' ' ' HIS . . . . . 0.452 ' O ' HD21 ' A' ' 4' ' ' LEU . 43.8 m80 -93.73 -62.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.64 172.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mtp -109.15 31.15 5.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 t -100.58 98.74 9.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.438 ' HA ' ' CE1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER 60.94 47.05 7.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.452 HD21 ' O ' ' A' ' -1' ' ' HIS . 0.8 OUTLIER -95.51 82.74 3.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 3' ' ' LYS . 27.8 p90 -179.34 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.785 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' HA ' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -77.76 -21.41 51.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -96.04 30.76 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.05 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -137.92 33.63 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.7 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.487 ' CD1' HD12 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -157.47 161.79 28.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.764 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -51.14 -179.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.517 2.145 . . . . 0.0 112.256 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.95 -32.96 13.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.043 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 m -63.13 -43.01 99.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.651 HD23 ' HE2' ' A' ' 16' ' ' LYS . 6.1 mt -74.2 -50.08 20.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.023 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.432 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.4 t -49.46 -27.38 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.299 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -65.49 -42.34 92.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.061 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.651 ' HE2' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -80.01 -16.88 54.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.504 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.919 ' O ' HG23 ' A' ' 21' ' ' VAL . 70.4 mt -80.08 -49.92 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.84 -26.1 32.17 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.954 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 16' ' ' LYS . 6.6 t -80.03 -39.09 30.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.733 0.267 . . . . 0.0 111.441 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 17' ' ' ILE . 13.6 p -79.87 -30.45 13.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.772 0.32 . . . . 0.0 111.454 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.0 t -60.18 -33.96 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.757 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -58.27 -26.16 62.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 t -80.02 -34.77 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.841 HD13 ' CB ' ' A' ' 27' ' ' SER . 1.6 mt -137.22 66.25 52.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 0.0 111.208 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.66 -11.62 31.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.397 2.065 . . . . 0.0 111.834 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -40.9 8.52 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.841 ' CB ' HD13 ' A' ' 24' ' ' LEU . 1.8 t -61.41 -37.68 84.35 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.836 0.35 . . . . 0.0 110.645 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.764 HD13 HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -54.55 -28.72 47.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -58.81 -38.72 79.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.3 mt -69.27 -49.06 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -63.92 -29.7 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 25.0 tt0 -58.2 -41.63 84.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -79.98 -22.71 42.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 34' ' ' LEU . 2.7 tt -71.53 -46.85 58.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.185 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.44 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.6 p90 -70.51 -31.35 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.008 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.436 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 16.4 mtpt -76.26 -30.52 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.64 -50.1 70.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.43 71.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.161 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 35' ' ' TYR . 5.1 mt -72.38 -32.98 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -72.8 -24.88 60.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -54.49 -27.19 36.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.155 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.82 -30.66 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 m -71.69 149.44 45.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -95.28 90.45 5.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -155.54 61.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -79.79 66.89 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.46 109.86 5.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -152.95 127.57 9.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -149.38 110.84 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -104.86 134.09 48.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -75.87 111.72 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.964 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' CB ' ' HD3' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -177.9 -52.89 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.439 ' HD3' ' CB ' ' A' ' 52' ' ' LYS . 21.8 Cg_exo -64.98 72.86 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.585 2.19 . . . . 0.0 112.126 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -106.89 178.47 4.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.0 mt -118.09 132.84 66.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -148.7 -46.93 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -174.35 85.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.4 p -163.14 -46.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -158.08 110.77 2.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.15 -29.81 71.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.5 149.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mp -129.56 79.49 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -109.1 -171.42 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.0 t -97.51 37.68 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.07 40.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.38 144.23 47.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.2 tp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.186 -0.911 . . . . 0.0 111.132 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -147.24 110.11 4.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 4.6 tmm? -150.04 92.62 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.82 -177.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -94.34 151.48 19.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.87 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.03 -174.3 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.791 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.622 ' CZ ' HD11 ' B' ' 79' ' ' LEU . 13.0 t80 68.74 -66.72 0.23 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.8 -25.81 68.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -58.22 -35.64 71.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.027 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -93.61 -41.87 9.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.622 HD11 ' CZ ' ' B' ' 75' ' ' PHE . 0.5 OUTLIER -52.71 164.84 0.62 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.681 179.783 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.594 ' HD2' HD23 ' B' ' 79' ' ' LEU . 1.1 Cg_endo -43.83 94.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.804 2.336 . . . . 0.0 112.199 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -47.1 -29.26 2.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.257 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -66.11 -45.17 82.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.11 -40.25 27.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.565 ' HA ' HD12 ' B' ' 87' ' ' ILE . 11.6 m -50.19 -28.43 7.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -44.17 95.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.472 ' O ' HG22 ' B' ' 89' ' ' THR . 4.6 mtmt -80.14 -21.92 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.178 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.817 ' O ' HG23 ' B' ' 91' ' ' VAL . 35.2 mt -80.02 -43.19 22.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.818 0.342 . . . . 0.0 111.175 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.83 -30.39 69.41 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.918 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.472 HG22 ' O ' ' B' ' 86' ' ' LYS . 8.9 t -75.65 -38.29 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.664 0.269 . . . . 0.0 111.148 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 11.0 p -79.98 -37.99 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.243 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.817 HG23 ' O ' ' B' ' 87' ' ' ILE . 92.5 t -58.24 -33.68 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -27.72 24.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.997 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.685 ' O ' HD22 ' B' ' 94' ' ' LEU . 40.3 t -79.86 -44.46 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.981 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.833 HD12 ' HB2' ' B' ' 97' ' ' SER . 4.3 mm? -127.84 72.14 78.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.279 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.42 -16.37 51.01 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.441 2.094 . . . . 0.0 111.901 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -37.84 9.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.833 ' HB2' HD12 ' B' ' 94' ' ' LEU . 1.6 t -61.72 -36.68 81.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.823 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.671 HD12 ' O ' ' B' ' 98' ' ' LEU . 1.1 tp -61.92 -36.0 80.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.699 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.33 -30.67 60.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.958 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 29.2 mt -70.8 -44.59 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.411 ' HZ ' HD11 ' A' ' 28' ' ' LEU . 12.5 m-85 -73.95 -31.73 63.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.433 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 65.2 tt0 -60.25 -43.85 95.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -80.04 -22.58 42.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.449 ' O ' HD23 ' B' ' 104' ' ' LEU . 1.1 tt -68.64 -49.93 55.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.175 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.5 OUTLIER -61.88 -40.64 96.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.939 -179.75 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -30.53 69.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -70.58 -50.07 41.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.07 -22.9 63.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.347 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.31 -27.9 56.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -73.55 -36.77 65.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.072 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.16 -26.67 68.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.989 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.05 -31.74 69.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 2.3 p -96.37 144.88 26.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -169.96 91.92 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.99 173.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.63 154.67 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.803 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 5.4 m -103.39 113.85 27.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -113.01 31.49 6.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.14 97.28 5.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -126.44 35.84 4.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -94.53 118.98 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -106.3 100.88 31.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -49.54 148.28 11.64 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.526 2.151 . . . . 0.0 112.318 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.55 117.05 28.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 pp -111.54 38.61 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.0 t0 63.0 78.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.91 88.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.4 m -171.54 158.21 5.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 11.6 m -168.1 91.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -165.34 151.76 10.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -70.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.486 ' HA ' HD22 ' B' ' 132' ' ' LEU . 0.2 OUTLIER -84.62 96.67 9.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -74.01 133.87 42.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 79.1 p -133.86 107.75 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.81 70.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -107.69 -31.79 7.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 8.1 pt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.146 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -139.2 121.22 15.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.51 76.95 0.79 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.732 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.27 -177.89 3.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -111.08 70.32 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.52 30.49 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.37 -31.18 29.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.728 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.527 ' CD2' HD11 ' A' ' 28' ' ' LEU . 41.5 t80 -60.0 -40.69 90.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.571 HD21 ' HA2' ' A' ' 18' ' ' GLY . 5.0 mp -74.11 -29.78 62.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.69 -26.52 63.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -98.79 33.62 2.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.98 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.705 HD21 HD11 ' B' ' 104' ' ' LEU . 96.0 mt -141.7 155.74 66.41 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.685 ' CG ' HD12 ' A' ' 13' ' ' LEU . 44.3 Cg_endo -68.5 151.63 75.44 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.54 2.16 . . . . 0.0 112.283 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -31.18 70.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.29 -48.33 82.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.685 HD12 ' CG ' ' A' ' 10' ' ' PRO . 20.8 mt -80.04 -39.8 29.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 t -50.2 -27.43 5.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -64.28 -48.42 75.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -43.17 22.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.792 ' O ' HG23 ' A' ' 21' ' ' VAL . 66.1 mt -59.73 -50.04 81.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.571 ' HA2' HD21 ' A' ' 6' ' ' LEU . . . -60.01 -27.52 64.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.62 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.13 -42.52 23.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.812 0.339 . . . . 0.0 111.268 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.541 HG21 ' HB2' ' B' ' 97' ' ' SER . 11.9 p -74.87 -45.03 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.461 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 17' ' ' ILE . 74.6 t -53.72 -27.67 15.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.133 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -56.97 -29.96 63.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.617 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.79 -50.1 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.955 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.068 HD13 HD13 ' B' ' 94' ' ' LEU . 1.4 mp -118.01 65.32 5.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.12 -26.56 30.49 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.646 2.23 . . . . 0.0 112.1 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 p -82.88 -37.45 24.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.81 ' CB ' HD23 ' A' ' 24' ' ' LEU . 4.1 t -68.5 -29.53 68.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.801 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.759 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -60.26 -30.34 69.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.614 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.25 -40.4 85.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.813 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.8 mt -65.75 -44.56 93.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.416 ' CD2' ' CE2' ' B' ' 101' ' ' PHE . 32.9 m-85 -64.9 -27.81 69.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -57.25 -48.66 78.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -72.45 -23.83 61.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.637 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -50.12 60.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.482 ' HD1' HD12 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -67.17 -32.45 73.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -76.41 -35.08 58.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.76 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.32 -50.1 74.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.72 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.16 -23.3 64.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.245 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.784 HD11 ' HB1' ' B' ' 108' ' ' ALA . 2.5 mt -79.99 -30.33 39.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -79.99 -39.56 29.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.012 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.52 -25.8 68.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -55.15 -24.47 26.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 65.11 143.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -158.75 170.61 21.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.738 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -74.39 169.9 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -164.24 32.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -109.62 105.16 14.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.14 172.97 6.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -101.31 126.78 48.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.37 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.66 117.97 35.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -88.1 -52.68 0.38 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 52' ' ' LYS . 54.3 Cg_exo -52.22 -176.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.478 2.119 . . . . 0.0 112.285 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.63 89.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 tt -132.52 145.36 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.2 -68.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.22 135.75 57.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.27 43.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.6 m 61.19 36.65 17.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -86.03 118.29 25.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 mp -102.42 -177.14 3.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.69 156.67 39.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.66 -174.54 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.784 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.6 p -60.07 160.89 7.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -60.35 129.36 41.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.5 -56.34 22.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.055 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -82.37 79.79 8.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -134.02 31.38 3.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.73 -175.21 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.815 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 45.3 m -70.29 68.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -136.68 29.61 2.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.615 ' C ' HD22 ' B' ' 74' ' ' LEU . 0.0 OUTLIER -156.84 145.78 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 61.2 t80 56.46 23.44 7.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.062 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 15.5 mt -147.11 -47.59 0.18 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.621 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -34.88 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.763 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -65.77 -70.75 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.611 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.514 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 1.1 pp -53.2 174.02 0.16 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.251 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 86.8 Cg_exo -45.87 92.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.252 1.968 . . . . 0.0 112.205 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.06 -27.33 5.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.388 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.9 p -59.55 -32.75 70.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.59 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -30.9 39.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.882 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 32.1 t -52.58 -26.76 14.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -59.24 -46.51 88.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -35.81 35.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.842 ' O ' HG23 ' B' ' 91' ' ' VAL . 52.1 mt -68.31 -50.11 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.46 -22.16 58.51 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.477 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.5 -40.11 30.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 27' ' ' SER . 11.2 p -80.15 -39.38 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.243 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.842 HG23 ' O ' ' B' ' 87' ' ' ILE . 56.2 t -57.98 -29.19 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 4.7 mtp-105 -56.05 -30.21 61.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.737 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 58.5 t -80.03 -49.94 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 1.068 HD13 HD13 ' A' ' 24' ' ' LEU . 1.1 mp -116.19 65.55 2.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.43 -40.77 5.42 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.538 2.159 . . . . 0.0 112.058 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.7 p -68.41 -32.62 72.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.561 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.593 ' CB ' HD23 ' B' ' 94' ' ' LEU . 11.9 t -70.25 -31.47 68.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.769 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.627 HD22 HG11 ' B' ' 91' ' ' VAL . 0.8 OUTLIER -60.35 -31.77 70.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.398 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -31.66 68.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.485 HG21 HG12 ' A' ' 17' ' ' ILE . 43.3 mt -67.77 -49.84 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.025 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.416 ' CE2' ' CD2' ' A' ' 31' ' ' PHE . 12.7 m-85 -64.81 -37.58 88.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.763 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 2.3 mt-10 -61.16 -49.26 77.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.493 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -28.12 65.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.513 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.705 HD11 HD21 ' A' ' 9' ' ' LEU . 8.3 tt -62.79 -50.02 72.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.733 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.0 OUTLIER -69.41 -20.08 63.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -50.2 74.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.331 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -78.5 -28.17 46.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.064 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.784 ' HB1' HD11 ' A' ' 39' ' ' LEU . . . -57.15 -29.37 63.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.185 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 40.0 mt -77.64 -32.93 53.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.024 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -71.11 -36.3 72.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.13 -27.28 39.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -57.21 -32.35 66.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.047 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 1.4 m -110.63 140.99 44.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -135.11 21.03 3.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.301 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 33.6 t70 61.12 116.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -114.97 83.61 1.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.88 28.33 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.01 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 56.89 52.03 9.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.43 81.11 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -131.28 32.91 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 3.1 tttt 60.39 160.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -66.36 121.52 77.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.14 120.63 6.69 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.34 2.026 . . . . 0.0 112.313 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -109.38 -179.37 3.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.611 ' O ' HG23 ' B' ' 125' ' ' ILE . 18.3 tt -156.46 106.22 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.07 119.21 38.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -113.16 150.38 32.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.017 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 44.6 m -125.2 -44.48 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.763 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 2.4 t -127.19 139.87 52.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.815 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -98.86 -49.75 4.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 2.9 mt -77.54 146.21 36.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' B' ' 136' ' ' GLU . 4.5 mp -59.45 151.26 24.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.54 41.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.044 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.72 -74.0 0.39 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.98 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.08 87.9 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 136' ' ' GLU . . . . . 0.477 ' HB3' HD22 ' B' ' 132' ' ' LEU . 4.8 tt0 -131.6 -46.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 1.7 pt . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.059 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.17 -57.72 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.07 -80.1 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 61.28 154.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -82.07 148.08 28.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -121.65 132.12 54.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.58 29.33 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -115.9 -39.13 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.66 -29.69 14.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -62.95 -17.85 62.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.01 35.14 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.33 . . . . 0.0 111.023 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.682 HD11 HD11 ' B' ' 104' ' ' LEU . 29.0 mt -148.77 148.69 28.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -51.83 151.18 15.93 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.525 2.15 . . . . 0.0 112.32 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.47 -36.72 76.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -48.38 79.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.783 HD22 HD11 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -66.79 -48.48 68.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.532 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -50.55 -28.3 8.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -34.7 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -80.11 -32.44 39.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.019 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.957 ' O ' HG23 ' A' ' 21' ' ' VAL . 38.0 mt -66.55 -50.32 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.087 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.24 -22.02 57.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.721 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -37.33 34.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.728 0.299 . . . . 0.0 111.102 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 17' ' ' ILE . 12.1 p -80.15 -30.77 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.557 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.957 HG23 ' O ' ' A' ' 17' ' ' ILE . 45.2 t -56.62 -34.98 43.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.166 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -54.25 -28.83 44.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.819 HG12 HD21 ' B' ' 94' ' ' LEU . 21.3 t -80.03 -38.15 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.186 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.842 HD13 ' CB ' ' A' ' 27' ' ' SER . 2.8 mt -137.19 70.59 55.28 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.278 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.3 -7.38 20.85 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.447 2.098 . . . . 0.0 111.893 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 m -104.85 -33.93 8.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.253 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.842 ' CB ' HD13 ' A' ' 24' ' ' LEU . 9.9 t -70.51 -32.74 70.33 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -34.97 63.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -58.21 -32.89 68.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.5 mt -64.73 -45.79 94.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.808 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.452 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 51.9 m-85 -71.09 -25.91 62.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.434 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -56.42 -40.78 75.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.978 0.418 . . . . 0.0 110.622 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.12 -25.41 39.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.69 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.478 HD11 HD22 ' B' ' 79' ' ' LEU . 1.2 tt -65.9 -50.11 65.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -63.15 -37.03 85.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.971 0.415 . . . . 0.0 110.822 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -76.84 -31.09 56.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.766 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -59.87 -50.11 75.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.712 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.56 -31.25 71.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -31.44 72.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -29.07 70.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.955 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -57.34 -31.31 65.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -63.05 -31.28 72.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.3 t -69.14 -49.7 54.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -163.04 -78.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -157.96 -58.14 0.08 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -150.8 171.72 16.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 m -140.14 168.97 18.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -118.96 -175.58 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -135.63 119.93 17.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.48 148.17 37.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -173.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.457 ' CB ' ' CD ' ' A' ' 53' ' ' PRO . 1.2 mtmm -166.13 -64.77 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.041 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 52' ' ' LYS . 45.7 Cg_endo -68.51 121.25 8.17 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.314 2.009 . . . . 0.0 112.285 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -142.53 80.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.0 mp 50.59 96.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -78.79 79.07 5.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -153.06 37.49 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.4 p -132.78 130.71 40.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.6 m -115.32 134.05 55.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -124.5 118.88 27.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.2 mp -98.98 32.68 2.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.771 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 64' ' ' THR . 0.4 OUTLIER -155.79 -45.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' ASP . 1.4 tttm -58.76 -23.07 59.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 62' ' ' LEU . 45.1 p 56.26 -81.16 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.436 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' LYS . 4.7 p-10 47.32 103.17 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 111.601 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 65.04 162.38 0.13 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.873 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.442 ' OXT' HG22 ' A' ' 67' ' ' ILE . 27.8 mt . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.128 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.401 -0.279 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.25 116.45 29.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 37.5 tpp -109.73 -29.99 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 32.5 mtm 60.37 78.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.808 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.75 127.0 53.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.972 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -144.7 79.61 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.89 -35.16 10.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.513 ' O ' HD23 ' B' ' 79' ' ' LEU . 43.1 p90 -60.39 -30.1 69.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.429 ' HG ' ' CE1' ' B' ' 75' ' ' PHE . 20.3 mt -67.32 -30.36 70.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -77.25 -43.27 34.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -66.68 -67.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.513 HD23 ' O ' ' B' ' 75' ' ' PHE . 2.8 pp -50.45 165.31 0.35 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.631 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.566 ' HB2' HD12 ' B' ' 83' ' ' LEU . 93.0 Cg_exo -44.33 92.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.527 2.151 . . . . 0.0 112.474 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -55.89 -30.04 60.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.092 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -37.3 81.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.729 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' B' ' 80' ' ' PRO . 38.5 mt -80.08 -27.0 39.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.46 ' HA ' HD12 ' B' ' 87' ' ' ILE . 49.9 m -54.59 -30.76 55.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.018 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -42.68 94.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.864 ' O ' HG22 ' B' ' 89' ' ' THR . 0.4 OUTLIER -78.06 -39.63 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.888 ' O ' HG23 ' B' ' 91' ' ' VAL . 20.2 mt -63.7 -32.5 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.73 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.14 -46.62 92.5 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.552 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.864 HG22 ' O ' ' B' ' 86' ' ' LYS . 13.9 t -60.94 -30.22 70.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.822 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 19.2 t -80.13 -36.14 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 87' ' ' ILE . 38.2 t -58.1 -37.58 62.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.11 -26.88 7.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.075 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.695 ' O ' HD22 ' B' ' 94' ' ' LEU . 27.3 t -80.04 -44.84 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.846 HD12 ' HB2' ' B' ' 97' ' ' SER . 4.0 mm? -127.48 70.7 76.55 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.511 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -65.93 -19.12 58.36 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.412 2.075 . . . . 0.0 111.626 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 26.9 m -92.05 -40.53 11.03 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.846 ' HB2' HD12 ' B' ' 94' ' ' LEU . 4.5 t -57.45 -44.16 84.52 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.852 0.358 . . . . 0.0 110.804 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.425 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -52.43 -30.89 31.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.056 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -39.67 84.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.3 mt -70.79 -35.29 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.452 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 18.6 m-85 -76.44 -29.88 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.426 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 36.2 tt0 -58.46 -41.9 86.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.79 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -79.98 -24.32 40.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.682 HD11 HD11 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -67.33 -50.01 61.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 -179.842 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.429 ' CE1' ' HG2' ' B' ' 106' ' ' LYS . 0.6 OUTLIER -63.84 -33.84 76.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.817 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 0.6 OUTLIER -79.85 -30.27 40.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -57.8 -50.04 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.66 73.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 20.6 mt -80.11 -29.55 38.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -78.7 -38.37 39.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.241 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -58.73 -29.51 66.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -59.17 -33.57 71.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.08 101.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.989 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -126.52 35.67 4.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -99.45 122.81 43.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.022 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -154.66 177.66 10.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 1.1 t -102.84 132.09 49.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -105.46 95.62 5.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -70.05 126.31 29.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -96.57 124.58 40.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.003 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -103.36 -178.51 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.5 142.6 45.33 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -74.23 -175.37 2.17 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.6 2.2 . . . . 0.0 112.341 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -160.24 57.95 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.63 145.55 16.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -102.64 -52.37 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 3.0 t0 60.35 166.18 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.05 -52.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 62.8 p -105.34 -176.61 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -156.01 100.32 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.1 mp -90.2 96.25 10.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.39 131.38 53.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.4 -66.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 3.8 t -164.19 -46.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.29 81.18 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 136' ' ' GLU . . . . . 0.865 ' HG3' HD12 ' B' ' 137' ' ' ILE . 5.5 pt-20 -58.37 -50.21 74.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 137' ' ' ILE . . . . . 0.865 HD12 ' HG3' ' B' ' 136' ' ' GLU . 2.5 mt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -148.36 79.89 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 6.8 ttp -151.95 80.25 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mmt -116.3 149.94 38.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 p -174.19 104.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -70.44 78.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 tp -90.28 77.01 6.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.431 ' CD1' ' HG3' ' A' ' 32' ' ' GLU . 29.6 t80 -141.24 -45.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.519 HD12 ' H ' ' A' ' 6' ' ' LEU . 5.0 mp -77.14 -18.36 57.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -101.71 31.03 4.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.077 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.13 31.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.815 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.32 164.02 1.18 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.771 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.579 ' HB2' HD12 ' A' ' 13' ' ' LEU . 88.7 Cg_exo -46.36 121.19 4.37 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.593 2.195 . . . . 0.0 112.435 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.51 -29.18 61.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -35.97 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.984 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.579 HD12 ' HB2' ' A' ' 10' ' ' PRO . 4.4 mt -80.03 -41.46 25.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.779 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -53.84 -27.47 30.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.267 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -40.43 88.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.719 ' O ' HG22 ' A' ' 19' ' ' THR . 0.8 OUTLIER -80.11 -28.6 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.132 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.88 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.3 mt -71.7 -47.19 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 111.064 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.18 -38.09 39.38 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.988 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 16' ' ' LYS . 13.3 t -70.09 -32.14 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.699 0.285 . . . . 0.0 111.045 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 16' ' ' LYS . 21.2 t -80.29 -35.9 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 17' ' ' ILE . 11.4 t -57.15 -33.56 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.328 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -31.63 52.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.131 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.683 ' O ' HD12 ' A' ' 24' ' ' LEU . 31.9 t -80.13 -42.31 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.251 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.766 HD23 ' CB ' ' A' ' 27' ' ' SER . 7.9 mp -132.98 68.31 78.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.282 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.14 -18.62 65.92 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.514 2.143 . . . . 0.0 112.236 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -95.9 -39.14 9.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.097 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.766 ' CB ' HD23 ' A' ' 24' ' ' LEU . 1.4 t -59.5 -40.62 87.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.002 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -60.18 -40.73 90.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.661 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -56.79 -27.94 60.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.026 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 27' ' ' SER . 25.9 mt -73.28 -38.76 54.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.459 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 3.6 m-85 -73.01 -29.69 63.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.432 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 6.6 tt0 -57.77 -49.58 76.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.704 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.8 -27.39 63.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -49.97 69.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.947 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.672 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -68.23 -28.09 66.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 1.5 mmmp? -77.85 -46.59 21.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.746 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -64.68 -50.02 68.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.55 -26.11 66.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.227 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -64.27 -30.32 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.9 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -80.04 -45.43 18.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.51 -17.15 60.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.176 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -53.23 -28.83 29.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.76 0.314 . . . . 0.0 111.105 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.7 m -70.76 65.79 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.812 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.35 -168.7 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.08 150.19 34.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -145.19 26.93 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.6 m 56.93 31.93 20.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.973 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.2 151.13 32.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -105.45 163.82 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -88.11 -66.49 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -140.36 106.84 5.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.86 134.07 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.49 156.13 54.47 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.413 2.075 . . . . 0.0 112.326 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -107.68 76.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 pt -64.86 173.38 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.195 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.23 128.06 4.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.38 152.3 27.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.1 -37.25 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.6 m 62.01 -164.47 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.0 t70 69.74 128.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.968 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 61' ' ' LEU . 2.6 mp -132.39 -179.88 5.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.49 -69.37 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.05 58.64 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.76 -37.2 7.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.07 102.47 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.813 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -99.33 35.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.979 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.7 tt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.057 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -112.04 -170.57 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 16.1 ttt -133.2 137.61 46.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 36.4 mtt -128.8 109.96 11.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 73.3 p -152.24 44.49 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.804 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -114.49 113.32 24.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 29.2 mt -118.09 -38.67 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.748 ' O ' HD23 ' B' ' 79' ' ' LEU . 15.8 t80 -65.37 -47.58 75.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' B' ' 84' ' ' SER . 6.1 mt -93.82 19.19 9.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.289 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.43 -36.46 4.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.868 0.366 . . . . 0.0 110.765 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -81.02 -60.67 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.748 HD23 ' O ' ' B' ' 75' ' ' PHE . 1.9 pp -51.25 170.35 0.2 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.474 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.602 ' N ' HD12 ' B' ' 79' ' ' LEU . 92.3 Cg_exo -44.81 93.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.322 2.015 . . . . 0.0 112.297 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -47.45 -28.89 2.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.459 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 70.0 p -68.88 -40.65 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.639 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -30.83 39.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.81 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.469 ' HB3' HD23 ' B' ' 76' ' ' LEU . 0.7 OUTLIER -56.64 -27.79 59.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -59.38 -41.9 90.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.588 ' O ' HG23 ' B' ' 90' ' ' VAL . 12.0 mttp -79.88 -33.95 39.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.629 ' O ' HG23 ' B' ' 91' ' ' VAL . 27.5 mt -70.5 -50.09 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.06 -19.7 57.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.617 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -32.85 39.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.678 0.275 . . . . 0.0 111.312 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 86' ' ' LYS . 11.9 t -80.08 -30.71 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.628 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.644 HG22 ' CD1' ' B' ' 98' ' ' LEU . 21.6 t -54.33 -33.57 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.216 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -55.96 -27.15 51.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.757 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.499 ' CG1' HD11 ' A' ' 24' ' ' LEU . 22.9 t -80.06 -33.44 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.704 ' HB2' HD22 ' A' ' 24' ' ' LEU . 3.3 mt -141.83 69.52 24.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.237 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.29 -17.88 62.18 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.372 2.048 . . . . 0.0 111.414 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -41.4 11.8 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.666 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.698 ' HB2' HD22 ' B' ' 94' ' ' LEU . 3.8 t -58.57 -49.94 75.6 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.917 0.389 . . . . 0.0 110.631 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.644 ' CD1' HG22 ' B' ' 91' ' ' VAL . 0.0 OUTLIER -55.19 -32.91 62.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.042 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -59.09 -42.27 90.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.932 0.396 . . . . 0.0 110.839 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.7 mt -68.22 -46.29 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.459 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 42.2 m-85 -64.97 -31.13 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.888 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.42 ' O ' ' CD1' ' B' ' 105' ' ' TYR . 0.6 OUTLIER -57.91 -39.37 77.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.714 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.05 -29.25 39.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.387 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.539 ' O ' HD23 ' B' ' 104' ' ' LEU . 2.7 tt -64.73 -49.19 71.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.789 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.42 ' CD1' ' O ' ' B' ' 102' ' ' GLU . 0.9 OUTLIER -73.79 -16.5 61.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.274 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -50.12 11.3 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.214 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' B' ' 104' ' ' LEU . 1.5 p90 -67.78 -30.76 70.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.26 86.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.55 HD23 ' HG ' ' A' ' 39' ' ' LEU . 1.5 mt -80.06 -35.08 37.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -28.76 67.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -56.97 -30.78 64.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.19 -32.23 73.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 2.9 p -153.85 105.39 2.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -136.59 29.72 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -176.69 108.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.69 -79.8 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 3.9 p 49.22 30.0 2.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.21 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -113.88 167.16 10.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -169.73 -42.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.24 156.91 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -95.59 144.32 26.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.992 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 162.62 32.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.98 93.37 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.558 2.172 . . . . 0.0 112.334 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.97 101.11 11.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.61 120.11 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.009 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -65.74 173.94 2.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.72 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.951 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 59.0 p -67.86 71.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.025 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 1.4 m 54.8 -177.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -138.24 161.44 36.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 1.1 mp -132.38 -177.0 4.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 tp 61.68 159.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.49 157.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.29 -177.33 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -178.81 -38.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 43.68 88.63 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.528 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.087 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.593 -0.203 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -107.75 108.56 19.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.4 tpp -107.72 -170.78 1.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 ttt -83.07 164.95 19.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.994 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -72.25 105.74 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -126.25 173.89 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 mt 60.49 33.61 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -151.51 -58.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.738 HD23 ' HB2' ' A' ' 14' ' ' SER . 4.2 mp -70.37 -11.64 61.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.404 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.26 -26.95 42.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.729 0.299 . . . . 0.0 110.952 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.67 -70.38 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.993 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.671 HD11 ' HA ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -58.15 162.15 6.17 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.018 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.8 146.76 10.95 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -74.36 -29.12 61.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.069 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -56.55 -41.92 77.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mt -80.08 -40.53 27.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.738 ' HB2' HD23 ' A' ' 6' ' ' LEU . 60.0 p -54.67 -24.64 22.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.42 -49.88 69.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -76.34 -29.79 57.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.833 ' O ' HG23 ' A' ' 21' ' ' VAL . 42.1 mt -76.58 -50.21 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.713 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.83 -21.02 54.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.218 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -47.26 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.603 HG11 ' CB ' ' B' ' 97' ' ' SER . 8.1 t -80.1 -35.61 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.193 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.983 HG11 HD12 ' A' ' 28' ' ' LEU . 87.2 t -56.01 -30.67 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.801 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -53.98 -30.85 48.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.421 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.637 HG12 ' CD2' ' A' ' 24' ' ' LEU . 83.3 t -73.88 -48.28 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.642 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.999 HD23 HD13 ' B' ' 94' ' ' LEU . 3.9 mm? -121.48 67.45 19.58 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.86 -18.94 65.95 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.41 2.073 . . . . 0.0 111.658 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -90.26 -40.85 11.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.8 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.794 ' HB3' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -61.49 -31.52 71.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.873 0.368 . . . . 0.0 110.546 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.983 HD12 HG11 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -56.71 -38.63 72.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -53.2 -39.14 63.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.502 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.523 HD12 ' H ' ' A' ' 30' ' ' ILE . 4.8 mp -72.72 -34.29 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.08 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -71.93 -44.37 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 8.7 pt-20 -56.76 -41.99 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.353 . . . . 0.0 110.731 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -29.35 60.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.557 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.523 ' O ' HD23 ' A' ' 34' ' ' LEU . 2.5 tt -63.06 -50.01 72.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.444 ' CZ ' ' HG2' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -69.43 -30.91 68.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -74.38 -32.54 62.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.776 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -68.98 -42.51 76.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.92 -28.5 55.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.346 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.656 HD11 ' HB1' ' B' ' 108' ' ' ALA . 1.8 mt -58.54 -35.36 72.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -75.64 -29.64 59.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.88 -32.22 69.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -76.58 -32.95 58.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.69 148.55 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -115.94 31.72 6.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -131.61 174.18 10.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.01 -67.67 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.5 t 60.82 93.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -117.15 85.63 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -78.47 155.01 30.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -177.45 97.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.8 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.58 126.27 49.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp 58.35 88.97 0.11 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.011 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.05 167.6 25.63 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.578 2.185 . . . . 0.0 112.308 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 60.57 34.66 20.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.28 136.54 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.086 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -165.43 119.73 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 59.91 -178.17 0.09 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.31 166.51 12.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.84 142.73 38.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.34 -45.34 63.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mp -75.53 -175.18 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.434 ' H ' HD12 ' A' ' 62' ' ' LEU . 2.9 mp -92.3 165.43 13.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -134.3 129.53 35.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -82.09 80.71 8.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -128.71 -176.69 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -135.67 -67.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.7 pt . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.251 -0.88 . . . . 0.0 111.129 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 112.541 -0.223 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.09 -169.1 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -77.68 160.22 28.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 82.2 mmm 62.68 -79.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.063 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 26.5 t 60.53 79.75 0.23 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -85.69 99.88 11.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.88 89.33 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -170.25 -45.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.18 -28.33 67.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -36.43 83.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.07 -66.22 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.818 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.594 HD12 ' N ' ' B' ' 80' ' ' PRO . 2.0 pp -49.34 170.6 0.14 Allowed Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.66 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.594 ' N ' HD12 ' B' ' 79' ' ' LEU . 85.1 Cg_exo -45.55 93.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.34 2.027 . . . . 0.0 112.348 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -50.79 -27.59 7.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.325 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.3 m -60.66 -47.04 88.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.661 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.468 HD22 HD11 ' B' ' 87' ' ' ILE . 0.4 OUTLIER -80.13 -37.46 33.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.76 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.402 ' OG ' HD11 ' B' ' 79' ' ' LEU . 0.6 OUTLIER -53.8 -25.03 17.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -59.98 -43.11 95.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.747 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.622 ' O ' HG22 ' B' ' 89' ' ' THR . 0.1 OUTLIER -80.13 -33.99 38.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.781 ' O ' HG23 ' B' ' 91' ' ' VAL . 29.6 mt -73.47 -29.24 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.45 -35.95 91.98 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.999 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.622 HG22 ' O ' ' B' ' 86' ' ' LYS . 6.9 t -71.71 -35.79 70.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.692 0.246 . . . . 0.0 111.18 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 27' ' ' SER . 14.7 p -80.33 -42.26 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 0.0 111.185 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.781 HG23 ' O ' ' B' ' 87' ' ' ILE . 73.2 t -58.79 -29.8 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.727 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -51.15 -35.07 33.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.137 0.494 . . . . 0.0 110.276 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.547 HG12 HD21 ' A' ' 24' ' ' LEU . 49.1 t -80.18 -26.39 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.63 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.999 HD13 HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -134.18 63.29 60.89 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.056 -179.773 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 95' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' B' ' 94' ' ' LEU . 5.4 Cg_exo -78.57 -47.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.793 2.329 . . . . 0.0 112.012 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 47.1 t -62.1 -30.82 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.603 ' CB ' HG11 ' A' ' 20' ' ' VAL . 22.9 t -74.28 -33.37 63.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.108 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.674 HD12 HG11 ' B' ' 91' ' ' VAL . 0.4 OUTLIER -44.91 -39.38 5.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.474 -179.827 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -27.22 25.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.1 mt -78.17 -39.79 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -74.14 -31.75 62.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.446 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 23.2 tt0 -59.23 -47.29 85.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.709 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.87 -23.85 59.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.689 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 2.4 tt -68.54 -48.27 64.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.446 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.5 p90 -66.45 -34.95 79.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.859 0.362 . . . . 0.0 110.938 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.411 ' HD3' ' CE1' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -71.82 -30.12 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.787 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -60.84 -50.15 74.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.656 ' HB1' HD11 ' A' ' 39' ' ' LEU . . . -64.74 -45.1 87.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.221 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -61.1 -42.18 98.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -60.77 -31.4 70.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -31.4 69.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -66.98 -24.87 66.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.63 167.46 0.35 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.089 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 61.63 72.96 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -171.51 123.23 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -69.47 102.15 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 52.8 p -173.63 113.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.32 104.02 8.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.12 135.9 14.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -119.2 -42.62 2.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.11 166.17 23.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -68.72 145.68 97.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.39 126.8 11.28 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.507 2.138 . . . . 0.0 112.387 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.68 168.01 12.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 4.3 tt -168.33 140.29 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -71.1 163.46 27.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.05 131.99 52.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 48.4 p -155.59 168.75 26.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.97 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 8.7 t 60.22 91.5 0.05 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -126.08 -61.88 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.603 HD23 ' H ' ' B' ' 132' ' ' LEU . 0.2 OUTLIER -112.22 160.92 17.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.603 ' H ' HD23 ' B' ' 131' ' ' LEU . 48.0 tp -162.5 152.24 16.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.99 153.88 39.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 1.7 t -136.21 79.41 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -62.49 -38.94 91.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -132.93 -64.89 0.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.054 -179.917 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -119.28 66.83 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.7 mmm -132.24 68.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.66 61.43 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.6 p -71.72 151.87 43.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 5' ' ' PHE . 27.2 mmtt -90.23 -179.62 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.1 48.59 2.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.459 ' CZ ' ' CD1' ' A' ' 6' ' ' LEU . 52.1 p90 -116.59 -35.64 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.976 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.459 ' CD1' ' CZ ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -60.62 -36.93 79.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -58.96 -51.61 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -61.22 -30.82 70.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.535 HD21 ' CB ' ' B' ' 104' ' ' LEU . 7.8 mt -79.71 155.15 75.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -56.86 -162.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.635 2.224 . . . . 0.0 112.373 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.98 -35.04 8.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -75.28 -31.47 60.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.07 -32.93 65.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 p -59.26 -22.49 61.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -79.86 -50.12 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.138 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -65.87 -33.88 76.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.135 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.913 ' O ' HG23 ' A' ' 21' ' ' VAL . 48.5 mt -70.84 -49.49 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.811 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.57 -19.47 58.05 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.71 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -38.96 41.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.916 0.389 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.506 HG11 ' OG ' ' B' ' 97' ' ' SER . 21.4 t -80.12 -30.04 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.26 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 17' ' ' ILE . 49.9 t -59.0 -38.45 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.265 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -32.67 9.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.941 0.4 . . . . 0.0 111.06 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.673 ' O ' HD22 ' A' ' 24' ' ' LEU . 21.5 t -80.32 -41.04 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.467 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.805 HD12 ' OG ' ' A' ' 27' ' ' SER . 4.3 mm? -125.86 71.52 68.12 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 111.574 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.16 -17.55 54.87 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.331 2.021 . . . . 0.0 111.172 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -88.63 -40.92 12.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.606 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.805 ' OG ' HD12 ' A' ' 24' ' ' LEU . 11.1 m -59.57 -47.05 87.08 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.949 0.404 . . . . 0.0 110.46 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.752 HD12 HG11 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -42.17 -48.9 4.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.524 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.14 -35.09 72.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mm -72.73 -46.62 53.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.685 ' CZ ' HG22 ' B' ' 91' ' ' VAL . 23.0 m-85 -69.79 -40.91 75.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 1.3 tm-20 -58.86 -41.37 86.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.98 0.419 . . . . 0.0 110.645 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.07 -26.52 53.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.686 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.527 ' CD1' HD13 ' B' ' 87' ' ' ILE . 0.6 OUTLIER -65.5 -50.06 66.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.482 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.3 p90 -64.05 -29.91 71.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 2.8 mmtp -76.28 -36.77 58.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.767 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -59.71 -50.05 75.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.736 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -26.19 68.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.253 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -80.0 -30.13 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -80.05 -42.24 24.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.214 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -19.43 52.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.398 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -51.85 -30.54 24.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.794 0.33 . . . . 0.0 111.097 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 t -113.58 32.17 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -119.31 162.96 17.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 t70 64.92 163.39 0.14 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.2 176.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.87 -76.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -165.32 146.91 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -100.95 -178.82 3.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.44 143.96 35.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mttp 61.82 165.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -108.73 146.98 34.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.1 58.75 5.69 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.585 2.19 . . . . 0.0 112.319 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 57.27 90.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.5 tp -103.07 -31.87 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.05 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.63 134.9 49.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -151.33 124.8 8.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.64 -66.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.26 92.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.803 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -135.51 84.86 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.8 mp 61.14 155.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.79 -70.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.88 159.12 15.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.2 m -106.37 82.62 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.27 -67.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.26 -175.7 0.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.158 179.874 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -110.62 -33.22 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.801 0.334 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.6 ttp 61.7 96.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 4.9 mmt -107.81 -178.76 3.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.971 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.8 p -74.68 81.94 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -169.75 113.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 mp -138.15 107.12 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.477 ' O ' HD12 ' B' ' 79' ' ' LEU . 14.7 t80 -173.92 -44.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 4.9 mp -91.9 -30.46 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -30.24 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -86.34 -42.66 13.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.803 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.477 HD12 ' O ' ' B' ' 75' ' ' PHE . 3.6 mt -53.14 167.67 0.41 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.657 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.465 ' HB2' HD23 ' B' ' 83' ' ' LEU . 90.9 Cg_exo -43.52 95.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.408 2.072 . . . . 0.0 112.2 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.17 -27.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.643 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 16.5 t -67.55 -50.65 57.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.728 0.299 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.509 ' C ' HD12 ' B' ' 83' ' ' LEU . 0.9 OUTLIER -80.63 -39.47 27.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.934 179.698 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 70.8 m -52.91 -24.92 10.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -44.33 89.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.043 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.758 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -66.42 -40.12 89.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.865 0.364 . . . . 0.0 110.819 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.759 ' O ' HG23 ' B' ' 91' ' ' VAL . 21.7 mt -74.93 -28.22 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.76 -26.32 74.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.656 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.758 HG22 ' O ' ' B' ' 86' ' ' LYS . 12.0 t -79.63 -34.87 40.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.686 0.279 . . . . 0.0 111.049 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.45 HG13 ' N ' ' B' ' 91' ' ' VAL . 12.5 p -80.41 -44.2 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.119 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 1.059 HG11 HD12 ' B' ' 98' ' ' LEU . 58.6 t -62.27 -33.71 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.52 -29.29 4.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.942 0.401 . . . . 0.0 110.574 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 85.9 t -80.05 -49.88 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.701 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.705 HD23 ' CB ' ' B' ' 97' ' ' SER . 1.1 mp -111.46 71.94 0.92 Allowed Pre-proline 0 N--CA 1.453 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.261 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.66 -24.21 22.05 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.486 2.124 . . . . 0.0 111.752 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.03 -33.86 22.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.744 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.705 ' CB ' HD23 ' B' ' 94' ' ' LEU . 21.2 t -65.37 -43.34 91.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.0 110.689 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 1.059 HD12 HG11 ' B' ' 91' ' ' VAL . 0.3 OUTLIER -53.07 -36.53 60.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.11 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.28 -31.81 63.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.445 ' CD1' HG21 ' A' ' 20' ' ' VAL . 26.5 mt -68.98 -39.33 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -72.7 -30.04 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -59.77 -36.2 76.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -50.19 59.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.594 HD12 ' N ' ' B' ' 105' ' ' TYR . 4.3 pp -69.83 -25.63 63.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.87 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.594 ' N ' HD12 ' B' ' 104' ' ' LEU . 0.8 OUTLIER -53.97 -50.03 67.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -78.37 -33.11 49.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -60.89 -49.99 75.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.0 -29.4 70.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.267 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.92 -35.17 74.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.938 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.96 -28.74 39.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.03 -21.41 45.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.289 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -53.34 -41.9 66.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.811 0.339 . . . . 0.0 111.191 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 1.1 m 179.71 -175.77 0.29 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -105.39 -179.03 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -107.29 39.86 1.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.61 162.39 27.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.77 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.82 140.8 16.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.808 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.67 31.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -93.88 108.47 20.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -131.09 149.8 52.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -140.18 32.29 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -119.62 95.4 49.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.94 119.0 6.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.391 2.061 . . . . 0.0 112.218 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.08 101.92 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 23.9 mt -137.21 -46.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.186 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 1.5 t70 60.7 32.24 20.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -78.29 131.04 36.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 23.0 t -105.52 179.48 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 2.4 p -88.66 -40.4 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 62.61 146.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.427 ' O ' HD12 ' B' ' 132' ' ' LEU . 0.4 OUTLIER 59.32 29.12 18.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.427 HD12 ' O ' ' B' ' 131' ' ' LEU . 0.1 OUTLIER -159.36 147.36 17.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -122.46 -44.73 2.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 4.8 m -107.59 98.6 8.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -120.56 141.45 50.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -139.5 79.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 7.6 tt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.055 179.913 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -172.63 -41.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.377 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.4 ttt -131.72 129.08 40.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.24 150.46 12.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.71 102.34 4.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -154.52 33.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -93.44 -33.83 13.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -59.86 -25.05 64.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.611 HD23 HD21 ' A' ' 9' ' ' LEU . 12.3 mt -85.57 -25.16 26.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.065 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.32 -32.65 68.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.961 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.05 -42.57 90.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.611 HD21 HD23 ' A' ' 6' ' ' LEU . 4.1 pp -81.82 156.79 69.93 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.679 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.7 137.98 26.1 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.9 2.4 . . . . 0.0 112.299 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -29.83 70.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.047 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.69 -49.61 72.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 mt -80.07 -34.47 38.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.519 ' CB ' HD11 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -53.99 -29.24 42.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -37.74 85.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -79.89 -34.45 39.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.92 ' O ' HG23 ' A' ' 21' ' ' VAL . 37.3 mt -70.84 -50.0 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.6 -19.28 54.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.447 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -39.33 30.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 110.984 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 16' ' ' LYS . 11.5 t -80.0 -28.67 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.354 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.7 t -54.71 -30.69 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.155 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -57.99 -28.43 64.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.686 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.539 ' O ' HD12 ' A' ' 24' ' ' LEU . 35.0 t -80.0 -39.72 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.987 HD13 HD13 ' B' ' 94' ' ' LEU . 4.7 mp -131.77 69.58 81.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.278 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.43 -28.15 54.38 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.671 2.247 . . . . 0.0 111.841 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -84.12 -37.93 21.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.828 ' CB ' HD23 ' A' ' 24' ' ' LEU . 1.2 t -58.68 -43.3 89.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.794 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.476 HD12 ' CG1' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -46.46 -43.49 16.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.344 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.95 -29.92 31.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.02 -45.04 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -72.29 -35.57 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.786 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.43 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -60.87 -40.68 93.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.645 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -80.11 -24.56 40.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.645 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.23 -49.25 65.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.034 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.43 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -63.5 -38.24 90.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.826 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -32.07 73.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.771 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -70.65 -49.96 41.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.74 -29.29 62.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.212 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.8 mt -59.34 -34.08 71.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -69.78 -29.36 66.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.41 -22.23 41.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.157 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -53.81 -29.83 42.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.002 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.6 p -89.96 161.22 16.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.814 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 m120 61.28 113.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.78 131.13 56.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.948 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.93 -46.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -98.88 36.05 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -127.76 79.37 1.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -139.85 19.67 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.6 m80 52.86 -169.23 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.853 0.359 . . . . 0.0 111.067 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 mttm 64.06 134.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.0 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.8 80.5 0.27 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -87.18 32.52 0.43 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.876 2.384 . . . . 0.0 112.849 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -176.97 161.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 mp -103.04 135.45 40.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.14 -169.02 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.81 120.51 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.0 172.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 t -96.42 -28.22 14.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.5 -165.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.42 34.76 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.22 80.13 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.747 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -87.55 79.08 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.4 m -112.14 144.97 40.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.62 104.49 16.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -160.54 -61.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.089 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -111.77 -71.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.332 . . . . 0.0 110.827 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 1.6 mpt? 60.87 111.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.41 -28.23 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.0 m 63.67 126.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.92 -19.33 13.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.253 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.71 92.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.903 0.383 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -136.39 -46.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.815 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' B' ' 84' ' ' SER . 6.7 mp -74.14 -30.11 62.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.941 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -44.35 96.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.983 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -68.83 -67.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.58 HD12 ' N ' ' B' ' 80' ' ' PRO . 1.8 pp -50.56 170.24 0.19 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.605 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.58 ' N ' HD12 ' B' ' 79' ' ' LEU . 84.4 Cg_exo -47.12 92.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.34 2.027 . . . . 0.0 112.283 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -53.66 -26.81 24.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.232 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -61.18 -47.7 84.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.788 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -80.05 -29.51 39.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.53 ' HA ' HD12 ' B' ' 87' ' ' ILE . 3.2 m -52.37 -28.58 20.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.187 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -59.27 -43.96 92.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.668 ' O ' HG22 ' B' ' 89' ' ' THR . 1.4 mptt -80.07 -28.41 39.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.915 ' O ' HG23 ' B' ' 91' ' ' VAL . 26.5 mt -74.01 -43.77 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.41 -38.43 62.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.826 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.668 HG22 ' O ' ' B' ' 86' ' ' LYS . 10.3 t -68.64 -33.83 74.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.956 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 86' ' ' LYS . 22.1 t -80.23 -40.61 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.915 HG23 ' O ' ' B' ' 87' ' ' ILE . 25.1 t -57.59 -32.54 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -29.8 42.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.56 ' O ' HD12 ' B' ' 94' ' ' LEU . 47.0 t -78.35 -40.0 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.986 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.987 HD13 HD13 ' A' ' 24' ' ' LEU . 5.6 mp -130.43 70.7 82.4 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.193 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.25 -32.09 34.12 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.731 2.287 . . . . 0.0 111.77 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -80.38 -35.47 35.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.799 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.605 ' CB ' HD23 ' B' ' 94' ' ' LEU . 1.3 t -60.31 -47.03 87.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.822 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.74 HD12 ' O ' ' B' ' 98' ' ' LEU . 0.7 OUTLIER -58.15 -33.97 69.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.771 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -56.0 -32.9 64.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.506 HG21 HG12 ' A' ' 17' ' ' ILE . 17.9 mt -73.63 -40.29 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.427 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 97.7 m-85 -70.35 -28.25 64.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.436 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 3.2 mt-10 -60.07 -49.93 75.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.791 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.92 -30.51 62.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.873 HD22 ' O ' ' B' ' 104' ' ' LEU . 0.0 OUTLIER -62.84 -43.19 99.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.448 179.725 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.771 ' N ' HD13 ' B' ' 104' ' ' LEU . 0.5 OUTLIER -80.0 -17.88 51.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.047 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.41 -50.1 68.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.185 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' B' ' 104' ' ' LEU . 6.0 p90 -77.93 -28.8 49.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.741 0.305 . . . . 0.0 111.086 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.91 -29.28 59.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.219 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 mt -72.64 -45.38 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -60.11 -29.45 68.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.18 -31.19 67.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -66.18 -31.72 72.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 1.2 t -92.23 79.06 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.21 -178.32 5.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -161.08 159.07 28.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -152.81 78.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.4 t -80.15 -44.46 19.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -143.34 170.72 15.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -84.03 -178.22 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -127.11 -57.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.008 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt 59.82 159.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -157.6 85.52 2.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.12 105.77 1.77 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.561 2.174 . . . . 0.0 112.222 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 61.32 166.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.49 145.81 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.84 31.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.32 121.98 28.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.823 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 68.2 m -116.99 -72.5 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 39.6 m 60.47 105.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -111.94 -67.84 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.45 171.58 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.539 HD23 ' OG1' ' B' ' 134' ' ' THR . 9.1 tp -60.31 137.8 58.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.66 67.55 0.56 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 134' ' ' THR . . . . . 0.539 ' OG1' HD23 ' B' ' 132' ' ' LEU . 0.2 OUTLIER -132.75 152.02 51.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 60.29 162.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -120.42 157.45 29.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' ILE . . . . . 0.729 ' O ' HD12 ' B' ' 137' ' ' ILE . 2.7 pp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -127.89 35.61 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.84 0.352 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.2 ttt -64.41 153.26 39.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.471 ' HG2' HD11 ' A' ' 4' ' ' LEU . 4.8 tpp -136.99 155.51 49.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -114.46 90.79 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.7 mttp 62.17 147.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.471 HD11 ' HG2' ' A' ' 1' ' ' MET . 11.0 mt -148.06 -78.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.726 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.76 ' HZ ' HD21 ' A' ' 28' ' ' LEU . 3.5 p90 -74.27 -13.21 60.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.07 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.95 -31.02 44.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.51 -41.93 91.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -28.97 67.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.775 HD11 HD21 ' B' ' 104' ' ' LEU . 35.7 mt -80.54 157.62 72.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -61.75 -166.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.697 2.264 . . . . 0.0 112.184 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.52 -41.82 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 t -59.69 -48.44 81.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.99 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.882 HD22 HD11 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -71.74 -44.72 63.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.445 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.6 m -57.22 -26.16 60.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.129 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -71.63 -41.83 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.03 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' O ' HG22 ' A' ' 19' ' ' THR . 7.7 ptpt -73.86 -26.65 60.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.109 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.882 HD11 HD22 ' A' ' 13' ' ' LEU . 22.2 mt -78.95 -30.91 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.7 -26.2 74.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.596 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 16' ' ' LYS . 6.2 t -79.68 -35.6 38.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.322 . . . . 0.0 111.016 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 21' ' ' VAL . 13.1 p -80.09 -43.6 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 17' ' ' ILE . 92.3 t -60.18 -29.93 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.0 ttp85 -55.28 -34.02 63.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.5 t -80.11 -50.04 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.317 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.897 HD12 ' CB ' ' A' ' 27' ' ' SER . 1.6 mm? -114.8 66.16 1.78 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.287 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.11 -13.13 33.42 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.453 2.102 . . . . 0.0 111.916 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.98 -40.07 10.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.897 ' CB ' HD12 ' A' ' 24' ' ' LEU . 7.8 t -66.62 -32.01 73.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.943 0.402 . . . . 0.0 110.561 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.76 HD21 ' HZ ' ' A' ' 5' ' ' PHE . 0.3 OUTLIER -55.57 -43.35 75.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.765 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -52.41 -30.63 30.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.9 mm -66.59 -42.78 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.808 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -77.15 -31.28 55.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.795 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.438 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 37.7 tt0 -58.47 -50.09 74.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.593 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -71.09 -23.59 62.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.46 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 34' ' ' LEU . 1.6 tt -67.68 -50.07 59.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.973 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.438 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.5 p90 -66.24 -36.83 84.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.753 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -61.97 -46.47 89.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.025 0.441 . . . . 0.0 110.687 179.833 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.03 -42.72 99.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.802 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' HA ' ' CG ' ' A' ' 41' ' ' GLU . . . -57.95 -21.18 42.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.513 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.659 HD22 ' CG ' ' B' ' 112' ' ' ASN . 87.4 mt -74.24 -44.91 51.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.773 0.32 . . . . 0.0 111.003 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.95 -40.56 95.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.982 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.405 ' CG ' ' HA ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -80.1 -19.81 46.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.165 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -55.36 -34.07 63.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.787 0.327 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -174.55 101.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -177.21 -39.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.16 154.26 18.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.933 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -155.79 -46.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -158.72 -65.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.979 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -144.63 -175.09 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 63.81 109.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.29 -63.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.78 125.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.09 76.98 2.13 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.54 170.36 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.461 2.107 . . . . 0.0 112.174 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.45 164.92 2.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.066 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.0 mt 55.33 -89.33 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.288 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 175.92 -71.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.834 0.35 . . . . 0.0 110.798 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -151.99 105.27 3.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 t -126.87 -51.99 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.7 t -80.65 163.89 23.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -113.59 148.62 35.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.621 HD13 HG21 ' A' ' 64' ' ' THR . 40.6 mt -90.48 -76.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 58.19 94.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt 60.32 66.87 0.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.814 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.621 HG21 HD13 ' A' ' 61' ' ' LEU . 6.5 t -104.09 155.97 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.819 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -61.8 104.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -148.0 123.77 10.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.6 tt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.192 -0.908 . . . . 0.0 111.137 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -37.45 56.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 5.3 mtp -102.78 154.4 19.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.14 -46.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.4 p -114.11 88.66 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -88.71 96.5 10.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.778 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.54 153.71 17.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.066 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.436 ' CG ' ' O ' ' B' ' 75' ' ' PHE . 76.9 t80 63.19 16.62 9.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.339 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mt -151.89 27.15 0.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.012 0.434 . . . . 0.0 110.59 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.44 -45.91 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.279 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.09 -61.57 2.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.53 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.483 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 0.2 OUTLIER -55.7 166.05 1.11 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.418 179.448 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 93.8 Cg_exo -42.73 91.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.597 2.198 . . . . 0.0 112.47 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' B' ' 79' ' ' LEU . 1.6 tp10 -53.62 -25.04 15.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.354 -179.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.83 -39.61 74.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.934 0.397 . . . . 0.0 110.776 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.04 -34.74 38.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.914 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.801 ' HA ' HD12 ' B' ' 87' ' ' ILE . 51.6 m -51.96 -26.94 11.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.211 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -58.64 -44.84 90.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.815 ' O ' HG22 ' B' ' 89' ' ' THR . 28.8 mtmt -80.02 -28.25 39.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.995 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.872 ' O ' HG23 ' B' ' 91' ' ' VAL . 27.9 mt -69.23 -33.98 60.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.25 -35.81 86.16 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.642 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.815 HG22 ' O ' ' B' ' 86' ' ' LYS . 15.1 t -74.78 -30.52 61.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 110.967 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 86' ' ' LYS . 21.5 t -80.28 -46.05 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 87' ' ' ILE . 24.8 t -59.48 -34.42 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.147 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.49 -35.17 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 25.5 t -80.11 -46.33 22.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.157 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.914 HD12 ' CB ' ' B' ' 97' ' ' SER . 3.1 mm? -117.3 69.89 5.72 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.279 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.59 -5.07 16.1 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.423 2.082 . . . . 0.0 112.269 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -109.28 -36.98 5.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.167 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.914 ' CB ' HD12 ' B' ' 94' ' ' LEU . 9.7 t -64.32 -33.05 74.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.727 0.298 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.488 HD12 HG13 ' B' ' 91' ' ' VAL . 0.5 OUTLIER -53.12 -33.02 50.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.067 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -56.16 -40.02 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 40.0 mt -71.22 -36.53 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -75.71 -29.59 59.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.408 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 2.3 mt-10 -56.81 -45.8 82.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.747 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -76.22 -25.73 55.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.655 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.775 HD21 HD11 ' A' ' 9' ' ' LEU . 1.4 tt -65.84 -49.93 66.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.44 ' CZ ' ' HG2' ' B' ' 106' ' ' LYS . 0.6 OUTLIER -69.51 -35.79 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.759 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.451 ' HA ' HD12 ' B' ' 109' ' ' LEU . 0.1 OUTLIER -72.6 -38.38 67.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.8 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -59.1 -45.5 90.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.26 -24.25 63.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.198 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 106' ' ' LYS . 28.7 mt -71.69 -29.49 64.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.019 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -70.42 -36.86 74.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.031 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.64 -27.32 60.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.988 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ASN . . . . . 0.659 ' CG ' HD22 ' A' ' 39' ' ' LEU . 5.7 t30 -72.84 -28.12 62.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.94 30.86 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.09 89.03 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -81.57 110.11 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.35 156.87 14.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.806 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.81 95.24 2.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -171.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -143.39 123.1 13.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -131.35 -178.05 4.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -163.07 149.43 12.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.6 141.9 0.54 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -73.74 172.74 15.21 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.496 2.131 . . . . 0.0 112.343 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -140.12 63.27 1.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.567 HD13 ' C ' ' B' ' 125' ' ' ILE . 0.0 OUTLIER -126.3 119.41 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.061 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.516 ' N ' HD13 ' B' ' 125' ' ' ILE . 0.4 OUTLIER -121.41 129.68 53.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -160.7 102.0 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 8.2 t -105.89 -59.16 1.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.62 179.8 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -164.92 104.24 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 2.8 mt -85.88 156.6 20.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.603 HD23 ' H ' ' B' ' 133' ' ' LYS . 0.2 OUTLIER 60.34 161.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 133' ' ' LYS . . . . . 0.603 ' H ' HD23 ' B' ' 132' ' ' LEU . 0.0 OUTLIER -157.14 -47.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.25 84.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -82.5 128.29 34.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -135.22 140.83 45.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.046 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -139.06 160.22 40.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.22 99.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ttm -90.3 141.33 28.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -127.17 179.6 5.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.831 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -107.17 108.49 19.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.761 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -135.07 5.94 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.528 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -81.92 -57.18 3.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.878 0.371 . . . . 0.0 110.769 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.552 ' HA ' HD12 ' A' ' 9' ' ' LEU . 4.9 mp -85.02 -29.97 24.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -57.5 -26.82 61.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -97.6 31.13 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.615 HD21 HD21 ' B' ' 104' ' ' LEU . 48.8 mt -138.25 159.26 68.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.65 -172.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.552 2.168 . . . . 0.0 112.342 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -32.29 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t -75.06 -43.04 55.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.7 mm? -62.9 -49.08 76.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.517 ' HA ' HD23 ' A' ' 6' ' ' LEU . 23.4 t -54.24 -25.48 23.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -79.06 -45.94 19.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.107 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.513 ' O ' HG22 ' A' ' 19' ' ' THR . 1.3 mppp? -75.62 -34.86 60.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.949 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.819 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.8 mt -80.04 -44.43 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.812 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.03 -25.53 64.4 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.745 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 16' ' ' LYS . 10.2 t -80.07 -38.27 32.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.692 0.282 . . . . 0.0 111.019 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.569 HG21 ' OG ' ' B' ' 97' ' ' SER . 13.0 p -80.2 -40.01 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.251 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 17' ' ' ILE . 99.4 t -54.94 -29.08 21.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.14 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -31.51 63.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.794 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.5 t -80.22 -50.18 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.182 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.797 HD23 ' CB ' ' A' ' 27' ' ' SER . 1.6 mp -114.82 72.47 2.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.265 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.641 ' HA ' HD23 ' A' ' 28' ' ' LEU . 73.0 Cg_endo -75.83 -20.08 15.59 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.578 2.185 . . . . 0.0 112.144 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.19 -37.34 12.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.797 ' CB ' HD23 ' A' ' 24' ' ' LEU . 3.8 t -60.52 -38.91 85.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.856 0.36 . . . . 0.0 110.685 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.641 HD23 ' HA ' ' A' ' 25' ' ' PRO . 3.7 pp -54.11 -29.0 43.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.018 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -57.13 -43.56 82.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.789 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.567 HD12 ' H ' ' A' ' 30' ' ' ILE . 4.0 mp -68.26 -31.32 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.792 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -78.83 -27.57 44.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.41 -50.11 74.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.816 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.24 -50.04 74.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.465 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.903 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -65.68 -37.93 87.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.875 179.279 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.77 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -62.11 -44.81 95.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.419 179.459 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -79.35 -29.94 42.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.88 -50.02 75.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.5 ' O ' HD21 ' B' ' 109' ' ' LEU . . . -62.54 -27.95 69.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.78 -29.46 65.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -27.85 69.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.21 -32.26 64.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.939 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -78.17 -42.11 32.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.67 104.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -94.04 147.12 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -135.16 115.29 13.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.033 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.45 -176.69 0.09 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.4 t -150.08 -47.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -109.5 80.4 1.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -69.98 -41.84 73.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 60.72 73.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -152.73 161.58 42.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.57 140.56 21.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.51 152.77 25.57 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.422 2.081 . . . . 0.0 112.284 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -71.38 156.36 39.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 tp -130.91 147.66 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -69.84 110.13 4.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.51 151.81 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.4 m -123.57 31.66 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.6 m -121.14 32.06 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -129.66 -46.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mt -130.63 -175.82 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.4 80.74 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -92.78 -62.02 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.4 t -134.0 157.65 45.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.03 173.11 12.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.44 35.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.8 tt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.077 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -149.53 -50.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.742 0.306 . . . . 0.0 110.791 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.95 173.66 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -100.28 31.05 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.72 159.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.41 78.7 1.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mt -104.87 112.94 26.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.441 ' CE2' ' HG ' ' B' ' 76' ' ' LEU . 2.0 p90 -177.16 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.441 ' HG ' ' CE2' ' B' ' 75' ' ' PHE . 3.9 mt -69.22 -17.51 63.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.176 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -84.02 3.52 34.05 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.572 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -127.82 -55.43 1.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.792 0.33 . . . . 0.0 110.825 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.491 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 3.8 pp -51.25 163.85 0.51 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.682 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.572 ' HB2' HD12 ' B' ' 83' ' ' LEU . 88.4 Cg_exo -42.45 94.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.556 2.17 . . . . 0.0 112.499 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -51.41 -25.94 7.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.328 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -55.73 -44.61 77.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.937 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' B' ' 80' ' ' PRO . 5.4 mt -80.13 -29.62 38.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.94 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.407 ' OG ' HD11 ' B' ' 79' ' ' LEU . 70.9 m -54.65 -29.46 52.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.16 -45.57 92.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.706 ' O ' HG22 ' B' ' 89' ' ' THR . 11.3 mttt -79.95 -37.7 33.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.885 ' O ' HG23 ' B' ' 91' ' ' VAL . 16.6 mt -66.21 -45.16 90.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.28 -49.27 25.68 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.049 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.706 HG22 ' O ' ' B' ' 86' ' ' LYS . 4.8 t -59.57 -33.6 71.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.326 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 86' ' ' LYS . 21.9 t -80.29 -42.04 21.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.224 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.885 HG23 ' O ' ' B' ' 87' ' ' ILE . 11.3 t -59.06 -36.62 63.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.244 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -28.85 9.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 32.0 t -80.13 -48.48 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.046 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.945 HD12 ' HB2' ' B' ' 97' ' ' SER . 3.5 mm? -117.78 69.2 6.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.97 -7.54 20.85 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.452 2.101 . . . . 0.0 112.162 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.6 p -104.25 -36.8 7.51 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.945 ' HB2' HD12 ' B' ' 94' ' ' LEU . 42.4 t -64.43 -38.44 91.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.884 0.373 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.851 HD12 HG13 ' B' ' 91' ' ' VAL . 1.2 tt -54.92 -30.9 59.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.268 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.67 -35.31 72.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.2 mt -66.4 -47.26 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.036 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -66.75 -26.98 67.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 10.1 tt0 -56.89 -46.69 81.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.397 . . . . 0.0 110.738 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -15.5 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.006 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.615 HD21 HD21 ' A' ' 9' ' ' LEU . 2.2 tt -74.8 -50.01 18.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.092 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.5 OUTLIER -60.2 -39.87 88.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.925 0.393 . . . . 0.0 110.872 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -70.73 -30.7 67.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.7 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -71.27 -49.96 37.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.808 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.51 -37.34 78.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 38' ' ' ALA . 51.5 mt -60.65 -43.51 97.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -66.46 -30.4 70.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -60.33 -40.65 91.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -80.06 -44.96 19.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 5.1 p 59.96 157.06 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -177.91 100.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -77.13 172.95 12.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.65 41.14 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 3.6 m -59.08 152.88 19.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.49 158.53 23.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -155.33 137.4 14.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.799 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -104.64 120.05 40.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.46 139.84 50.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.44 143.04 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.76 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.92 -174.61 1.98 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.515 2.143 . . . . 0.0 112.359 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -148.72 179.02 8.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.763 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 70.0 mt 51.52 89.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -75.94 104.93 6.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.4 129.24 3.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.41 -45.96 4.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 1.4 m 60.98 100.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -112.42 -61.74 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -145.13 169.52 18.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.4 tt -126.01 -44.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -149.42 146.73 27.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 2.9 t -173.99 127.54 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 66.52 -75.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -159.14 -49.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.215 -0.897 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.139 0 N-CA-C 112.647 -0.181 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -94.04 151.06 19.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -144.54 141.72 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm -133.13 50.64 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -101.43 39.68 1.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -94.77 101.25 13.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.6 -19.42 12.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -88.8 52.23 2.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.912 0.387 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mt -159.52 -44.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -67.93 -28.75 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -57.0 -49.92 74.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.423 HD11 HD12 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -83.69 160.02 59.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.409 ' HD2' HD12 ' A' ' 13' ' ' LEU . 74.9 Cg_exo -49.77 163.54 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.626 2.217 . . . . 0.0 112.47 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -43.17 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.048 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 m -59.34 -32.67 70.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.981 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.409 HD12 ' HD2' ' A' ' 10' ' ' PRO . 31.2 mt -80.23 -30.29 38.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.2 m -62.32 -49.96 73.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.287 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -56.94 -31.96 65.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.223 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.513 ' O ' HG22 ' A' ' 19' ' ' THR . 8.4 ttmt -72.09 -35.62 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.945 0.403 . . . . 0.0 110.799 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.874 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.4 mt -77.0 -46.78 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.754 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.4 -40.63 86.35 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.631 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 16' ' ' LYS . 7.9 t -61.44 -39.23 90.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 110.814 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG11 ' OG ' ' B' ' 97' ' ' SER . 22.3 t -80.21 -35.03 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.061 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 17' ' ' ILE . 93.9 t -58.84 -35.84 58.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.06 -32.16 9.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.006 0.431 . . . . 0.0 110.76 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.603 ' O ' HD22 ' A' ' 24' ' ' LEU . 46.7 t -80.18 -41.43 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.801 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.859 HD12 ' HB2' ' A' ' 27' ' ' SER . 4.4 mm? -125.3 73.41 67.15 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.268 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.58 -11.01 30.15 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.524 2.15 . . . . 0.0 112.104 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -104.37 -35.64 7.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.064 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.859 ' HB2' HD12 ' A' ' 24' ' ' LEU . 3.1 t -63.02 -37.58 87.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.88 0.372 . . . . 0.0 110.743 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.655 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -58.84 -33.43 70.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.788 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -31.49 66.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.0 mt -78.85 -48.23 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.08 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' CE1' ' HG ' ' B' ' 98' ' ' LEU . 12.9 m-85 -65.0 -31.62 72.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.038 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 1.6 tt0 -60.1 -50.08 75.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.775 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.54 -20.51 62.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -50.14 29.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.7 p90 -64.86 -29.25 70.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 30.3 mttt -77.05 -30.73 55.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -69.59 -49.93 49.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.23 -22.69 63.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.428 HD11 ' HB1' ' B' ' 108' ' ' ALA . 0.1 OUTLIER -65.45 -28.44 69.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.151 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -79.38 -28.72 41.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.7 -43.85 90.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.078 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.598 ' OD1' HD22 ' B' ' 109' ' ' LEU . 11.3 m120 -80.03 -10.84 59.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.409 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -95.74 38.87 1.15 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.796 0.331 . . . . 0.0 111.072 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 61.02 155.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.962 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.29 83.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -59.38 132.25 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.8 p -102.86 -22.84 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 66.75 162.57 0.17 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.936 0.398 . . . . 0.0 110.825 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' A' ' 50' ' ' HIS . 0.4 OUTLIER -148.75 -156.23 0.7 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.683 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 49' ' ' HIS . 7.7 m80 64.44 168.83 0.17 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.742 0.306 . . . . 0.0 110.998 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 tttp 64.19 118.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.76 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.23 153.86 81.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.36 -177.31 2.32 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.523 2.149 . . . . 0.0 112.368 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.35 149.98 29.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.497 HG22 ' H ' ' A' ' 57' ' ' ASP . 26.6 mm -99.84 139.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.47 30.7 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.497 ' H ' HG22 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -101.13 -177.6 3.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.4 m -64.26 160.36 18.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 m -122.87 144.36 49.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -102.02 141.68 34.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.04 175.6 8.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.7 mt -77.1 93.97 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.11 -31.67 8.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.7 t -166.99 149.99 6.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.53 132.8 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -139.42 -51.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.094 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.129 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 t60 68.96 -67.03 0.23 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.878 0.371 . . . . 0.0 111.08 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 43.2 mtm -141.09 32.19 1.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.808 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.54 31.94 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.1 p -129.69 -178.82 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -107.05 79.11 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.91 176.63 5.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 9.6 t80 67.8 -68.79 0.15 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.54 HD23 ' HB2' ' B' ' 84' ' ' SER . 5.5 mp -60.71 -21.22 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.245 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.88 -29.61 61.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.117 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -98.11 -58.96 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.18 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.448 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 3.2 pp -47.35 162.87 0.27 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.831 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 92.6 Cg_exo -44.21 94.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.57 2.18 . . . . 0.0 112.481 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -52.92 -28.11 21.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.297 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 87.5 p -63.22 -36.27 83.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.721 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.59 -29.19 51.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.763 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.54 ' HB2' HD23 ' B' ' 76' ' ' LEU . 21.7 p -55.22 -26.96 42.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.036 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -58.63 -47.09 85.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.608 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -77.25 -37.19 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.664 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.872 ' O ' HG23 ' B' ' 91' ' ' VAL . 35.7 mt -65.51 -21.82 29.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.179 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.59 -29.3 73.83 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.862 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.608 HG22 ' O ' ' B' ' 86' ' ' LYS . 2.9 t -80.15 -36.03 35.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.598 0.237 . . . . 0.0 111.423 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' B' ' 87' ' ' ILE . 14.4 p -74.28 -41.37 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.405 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 87' ' ' ILE . 65.7 t -57.69 -30.25 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.764 0.316 . . . . 0.0 110.887 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -56.27 -27.61 55.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.657 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.485 HG12 HD21 ' A' ' 24' ' ' LEU . 38.4 t -80.07 -37.8 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.868 HD13 ' CB ' ' B' ' 97' ' ' SER . 3.0 mt -136.6 72.2 57.31 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.262 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.0 -6.04 17.93 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.361 2.041 . . . . 0.0 111.857 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 95.6 p -106.44 -33.67 7.65 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.266 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.868 ' CB ' HD13 ' B' ' 94' ' ' LEU . 40.6 t -67.55 -40.57 84.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.784 0.326 . . . . 0.0 110.811 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.417 HD22 ' HG3' ' B' ' 102' ' ' GLU . 0.2 OUTLIER -53.03 -32.26 45.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -32.89 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' B' ' 97' ' ' SER . 4.3 mt -73.83 -35.44 43.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.945 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -76.62 -34.21 58.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.45 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 2.7 mt-10 -59.43 -50.2 74.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.607 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -70.3 -27.26 64.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.486 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.553 ' O ' HD23 ' B' ' 104' ' ' LEU . 4.1 tt -63.73 -49.89 71.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.806 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.1 p90 -68.86 -22.01 64.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -67.1 -50.18 62.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.407 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -72.8 -29.49 63.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.107 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' A' ' 39' ' ' LEU . . . -57.15 -27.35 61.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.183 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.598 HD22 ' OD1' ' A' ' 42' ' ' ASN . 9.1 mt -79.12 -44.44 22.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.819 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -57.07 -22.37 38.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.15 -43.53 64.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.042 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' ASN . . . . . 0.524 ' ND2' ' HA ' ' B' ' 109' ' ' LEU . 11.7 p30 -80.03 -36.6 35.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.029 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.55 137.02 52.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -167.8 75.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.788 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -121.74 161.63 22.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.046 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.24 33.71 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 5.7 m -105.32 135.4 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -137.21 91.63 2.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.992 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 60.24 166.13 0.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.52 91.49 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.996 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -152.24 114.32 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.725 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.57 101.53 15.6 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.61 58.26 5.21 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.705 2.27 . . . . 0.0 112.384 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.32 83.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 30.7 mt -86.85 133.4 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.232 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.35 45.17 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 61.0 179.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.82 -44.45 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.801 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 13.3 m -91.8 -179.07 5.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.967 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 3.1 t0 60.9 55.31 3.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.6 tt -166.41 92.95 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.85 78.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -140.12 92.76 2.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 2.7 t -133.53 170.16 15.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -173.46 -41.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.32 153.97 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 21.6 pt . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.083 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 59.93 98.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.8 ptm -161.13 -163.61 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mtm 63.56 82.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -171.3 71.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.823 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.726 ' HE3' HD13 ' A' ' 6' ' ' LEU . 1.1 tptt -80.39 117.07 20.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 52.9 mt -152.58 34.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.79 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -128.23 -68.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.726 HD13 ' HE3' ' A' ' 3' ' ' LYS . 3.3 mp -65.39 -29.09 69.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.045 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -58.17 -31.59 67.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.963 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -82.96 -43.49 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.798 HD11 HD22 ' B' ' 104' ' ' LEU . 18.4 mt -71.42 161.09 80.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.747 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.435 ' CG ' HD12 ' A' ' 13' ' ' LEU . 18.4 Cg_endo -60.14 -172.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.569 2.179 . . . . 0.0 112.188 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -98.89 -31.07 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 t -66.94 -47.47 71.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.993 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.435 HD12 ' CG ' ' A' ' 10' ' ' PRO . 31.2 mt -78.79 -28.79 44.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.73 -31.74 64.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.052 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -42.83 71.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.765 ' O ' HG22 ' A' ' 19' ' ' THR . 14.3 mttt -65.7 -37.04 85.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.795 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.0 mt -72.46 -28.41 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.065 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.81 -29.54 73.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.54 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 16' ' ' LYS . 13.8 t -78.5 -31.13 47.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.899 0.381 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 16' ' ' LYS . 12.0 t -80.25 -49.63 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 17' ' ' ILE . 44.7 t -57.68 -32.77 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -27.99 45.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.648 ' O ' HD12 ' A' ' 24' ' ' LEU . 27.8 t -79.96 -39.54 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.255 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.812 HD13 HD13 ' B' ' 94' ' ' LEU . 5.6 mp -134.18 65.07 68.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.277 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -58.34 -25.65 73.83 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.323 2.015 . . . . 0.0 111.37 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.64 -38.53 33.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.577 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.691 ' HB2' HD23 ' A' ' 24' ' ' LEU . 4.1 t -67.01 -33.58 75.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.921 0.391 . . . . 0.0 110.511 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.745 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -54.39 -33.5 59.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.836 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.46 -32.66 67.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' B' ' 90' ' ' VAL . 35.5 mt -67.22 -50.07 66.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.967 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.493 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 49.6 m-85 -68.04 -31.06 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.685 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 40.7 tt0 -57.71 -39.65 77.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.665 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' HA ' ' HG2' ' A' ' 36' ' ' LYS . 1.2 mt-10 -80.12 -20.16 45.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.624 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.06 -50.09 10.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.504 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.435 ' CD1' ' HA ' ' A' ' 32' ' ' GLU . 1.6 p90 -68.97 -38.62 79.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.374 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -69.68 -41.48 75.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.058 -179.756 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -53.48 -50.11 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.47 -29.77 66.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.699 HD21 ' HB1' ' B' ' 108' ' ' ALA . 0.3 OUTLIER -59.03 -37.68 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -80.04 -26.26 39.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -56.19 -40.59 74.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -80.05 -31.59 39.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.13 -68.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.965 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -164.97 119.48 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.821 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.59 34.66 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.3 mtm-85 -149.56 -59.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.45 -72.23 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -176.81 129.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -152.91 -46.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -64.5 82.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -107.13 141.94 37.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.32 147.49 37.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.33 64.06 3.58 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.613 2.209 . . . . 0.0 112.361 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -161.08 29.65 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.2 mt -129.68 -45.27 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.064 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -75.98 -56.49 4.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 48.71 27.58 1.58 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.311 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.2 p 179.24 -76.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.72 112.92 18.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -172.82 155.64 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 tp 62.56 149.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 64' ' ' THR . 0.2 OUTLIER -123.22 -179.68 4.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.55 -37.27 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.645 ' H ' HD23 ' A' ' 62' ' ' LEU . 12.5 m -85.16 148.52 26.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.791 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.72 148.39 48.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -135.51 93.04 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.129 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -110.06 -30.77 7.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.68 0.276 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 4.7 mmt 68.57 -65.87 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 17.1 mtt -55.43 -30.55 60.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 63.2 m 61.6 117.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -89.9 176.9 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.7 -54.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.426 ' CE1' ' HG ' ' B' ' 76' ' ' LEU . 10.9 p90 -87.79 -27.57 22.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.915 HD23 HD21 ' B' ' 79' ' ' LEU . 91.7 mt -74.49 -27.51 60.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -65.87 -35.11 79.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.115 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.77 -63.03 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.958 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.915 HD21 HD23 ' B' ' 76' ' ' LEU . 2.5 pp -49.29 167.53 0.22 Allowed Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.614 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.538 ' N ' HD12 ' B' ' 79' ' ' LEU . 91.3 Cg_exo -44.7 93.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.389 2.059 . . . . 0.0 112.456 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -51.78 -28.88 16.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.096 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -60.06 -37.92 81.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.701 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.609 HD23 ' HD2' ' B' ' 86' ' ' LYS . 0.9 OUTLIER -80.05 -32.22 39.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.957 179.796 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 66.4 m -51.06 -29.43 12.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -44.2 89.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.609 ' HD2' HD23 ' B' ' 83' ' ' LEU . 15.5 ptpt -79.97 -32.93 39.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.911 ' O ' HG23 ' B' ' 91' ' ' VAL . 18.9 mt -71.82 -50.13 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.918 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.52 -26.34 64.36 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.374 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -42.4 72.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 86' ' ' LYS . 11.2 t -78.64 -34.51 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.976 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.911 HG23 ' O ' ' B' ' 87' ' ' ILE . 86.7 t -55.39 -26.8 19.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.694 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -55.72 -35.97 66.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.461 ' O ' HD12 ' B' ' 94' ' ' LEU . 66.1 t -79.99 -30.65 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.781 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' B' ' 97' ' ' SER . 1.1 mp -136.63 67.0 58.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.048 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.97 -35.77 11.45 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.755 2.304 . . . . 0.0 112.127 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -75.58 -32.74 60.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.981 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.835 ' CB ' HD23 ' B' ' 94' ' ' LEU . 16.9 t -70.71 -31.57 68.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.994 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.792 HD12 ' O ' ' B' ' 98' ' ' LEU . 0.6 OUTLIER -57.83 -34.2 69.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.555 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.81 -27.68 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.596 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 24.3 mm -66.58 -50.11 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.493 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 90.3 m-85 -68.51 -37.99 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -62.57 -29.25 70.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.46 -50.07 15.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.816 HD12 ' N ' ' B' ' 105' ' ' TYR . 4.1 pp -64.88 -36.83 85.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.816 ' N ' HD12 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -59.33 -38.3 79.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.1 -33.98 38.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -64.7 -44.24 90.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.014 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.699 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -61.54 -25.61 67.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.464 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 48.2 mt -57.14 -42.71 81.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.772 0.32 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -64.86 -30.22 71.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.034 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.2 -33.38 73.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' ASN . . . . . 0.601 ' OD1' HD23 ' A' ' 39' ' ' LEU . 2.1 m120 -74.48 -33.21 62.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 69.8 m -67.43 147.26 53.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -109.45 125.2 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -72.89 -31.56 64.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 -88.67 147.04 24.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 52.4 p -151.75 40.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 61.81 103.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -60.85 -19.89 60.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 68.02 92.63 0.08 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -177.19 142.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -143.98 127.55 8.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.24 130.6 40.53 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.359 2.04 . . . . 0.0 112.234 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -99.81 95.94 7.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.805 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 2.5 mt -112.18 -33.57 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -93.53 168.91 10.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.95 -44.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 69.4 m -112.07 118.55 35.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.81 -50.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -145.27 92.84 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.75 ' C ' HD22 ' B' ' 132' ' ' LEU . 0.2 OUTLIER -140.0 79.08 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.75 HD22 ' C ' ' B' ' 131' ' ' LEU . 4.1 mm? -132.89 -178.91 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.45 -39.26 7.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 2.5 p -148.31 177.56 9.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.82 157.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -129.38 93.46 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.133 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -1' ' ' HIS . . . . . 0.424 ' CE1' ' HG3' ' A' ' 0' ' ' MET . 20.9 p80 -96.65 -33.47 11.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.843 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.424 ' HG3' ' CE1' ' A' ' -1' ' ' HIS . 5.2 mtt -74.14 138.27 43.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.945 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mtt -134.68 -46.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.43 156.88 4.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 61.72 120.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.94 -32.44 9.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.038 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 6' ' ' LEU . 18.8 p90 -78.31 -33.57 49.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 0.5 OUTLIER -82.32 -22.35 35.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -96.37 29.75 2.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -116.04 -40.8 3.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.73 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 10' ' ' PRO . 1.4 pp -77.72 160.51 74.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.519 ' O ' HD12 ' A' ' 9' ' ' LEU . 76.9 Cg_exo -50.24 154.8 5.35 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.538 2.159 . . . . 0.0 112.409 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -76.35 -31.4 58.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -42.07 98.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.8 mt -80.09 -29.97 39.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.053 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -29.29 58.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.206 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -35.24 80.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' O ' HG22 ' A' ' 19' ' ' THR . 0.1 OUTLIER -79.36 -28.09 41.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.855 ' O ' HG23 ' A' ' 21' ' ' VAL . 34.4 mt -79.97 -49.5 19.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.69 -25.55 51.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.854 -0.689 . . . . 0.0 113.087 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 16' ' ' LYS . 8.2 t -79.6 -39.86 30.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.72 0.295 . . . . 0.0 111.133 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.578 HG21 ' OG ' ' B' ' 97' ' ' SER . 11.6 p -80.08 -38.68 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.283 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 17' ' ' ILE . 59.4 t -56.29 -31.11 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -30.94 48.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.8 t -79.81 -49.65 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.864 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.975 HD13 HD13 ' B' ' 94' ' ' LEU . 4.4 mp -117.07 72.92 6.43 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.021 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.13 -28.77 23.08 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.49 2.127 . . . . 0.0 111.958 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.7 t -83.74 -34.46 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.683 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.69 ' CB ' HD23 ' A' ' 24' ' ' LEU . 1.4 t -60.33 -47.33 86.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.728 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.51 HD12 ' CG1' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -45.95 -31.47 2.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.35 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -56.81 -30.88 64.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mt -80.03 -42.21 21.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.02 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -69.39 -39.38 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 1.3 tt0 -60.02 -42.38 94.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.11 -22.61 52.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.71 -49.99 41.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.972 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.457 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.7 p90 -62.94 -38.56 91.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.788 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -31.5 59.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -69.29 -43.8 73.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.87 -13.37 62.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.518 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.508 HD21 HD21 ' B' ' 112' ' ' ASN . 0.1 OUTLIER -76.88 -28.64 55.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.701 0.286 . . . . 0.0 110.95 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.05 -30.74 39.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -17.67 59.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.396 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -50.67 -26.67 5.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.225 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m 62.94 162.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.09 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -166.03 37.61 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.973 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.81 -72.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -117.04 98.71 6.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.6 p -132.8 112.26 11.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.5 57.53 4.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -92.66 100.45 12.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -141.18 153.77 45.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -59.82 155.03 17.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -114.3 94.65 36.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.978 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.49 67.25 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.696 2.264 . . . . 0.0 112.222 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.55 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -153.17 123.63 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.795 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.55 HD13 ' O ' ' A' ' 54' ' ' ARG . 27.5 mm -130.19 -43.65 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.265 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -112.28 -62.82 1.51 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -108.74 -178.64 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.996 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.6 m -114.09 146.54 40.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 t -154.95 34.61 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -131.93 83.19 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.43 -169.36 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.29 134.92 51.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -143.86 31.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 m -100.91 -62.77 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -171.37 120.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -92.85 129.9 38.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.434 ' OXT' HG22 ' A' ' 67' ' ' ILE . 17.5 mt . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.161 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 69' ' ' HIS . . . . . 0.404 ' O ' ' N ' ' B' ' 71' ' ' MET . 1.9 m-70 61.23 111.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.67 0.272 . . . . 0.0 110.937 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 34.27 -91.16 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.146 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' MET . . . . . 0.404 ' N ' ' O ' ' B' ' 69' ' ' HIS . 8.7 tpp 62.11 76.81 0.35 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.86 0.362 . . . . 0.0 110.792 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.1 t -109.37 102.7 11.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.6 tttt 61.36 109.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.997 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 mt -159.59 29.16 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.722 ' O ' HD23 ' B' ' 79' ' ' LEU . 71.2 t80 -129.39 -43.54 1.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mp -87.41 8.71 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.497 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.5 -30.65 12.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 110.688 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -91.77 -56.61 3.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.81 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.722 HD23 ' O ' ' B' ' 75' ' ' PHE . 2.0 pp -55.52 170.6 0.39 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.577 ' N ' HD12 ' B' ' 79' ' ' LEU . 84.0 Cg_exo -47.03 93.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.435 2.09 . . . . 0.0 112.412 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -54.77 -27.97 45.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.176 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 4.2 m -57.34 -42.93 82.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.923 0.392 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.99 -28.4 39.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 74.7 m -49.36 -27.5 4.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.256 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -49.98 75.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.556 ' O ' HG22 ' B' ' 89' ' ' THR . 0.3 OUTLIER -80.08 -25.24 40.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.823 ' O ' HG23 ' B' ' 91' ' ' VAL . 34.2 mt -79.1 -38.48 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.17 -25.46 68.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.711 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.556 HG22 ' O ' ' B' ' 86' ' ' LYS . 6.9 t -79.98 -37.41 34.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.73 0.3 . . . . 0.0 111.041 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.489 HG21 ' OG ' ' A' ' 27' ' ' SER . 12.6 p -80.18 -40.98 20.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.272 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.823 HG23 ' O ' ' B' ' 87' ' ' ILE . 89.8 t -56.68 -30.18 31.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -53.86 -31.53 49.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.58 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 55.7 t -80.2 -49.8 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.9 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.975 HD13 HD13 ' A' ' 24' ' ' LEU . 3.3 mp -116.13 69.1 3.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.27 -25.83 18.23 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.461 2.107 . . . . 0.0 112.004 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.2 p -84.62 -31.94 23.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.578 ' OG ' HG21 ' A' ' 20' ' ' VAL . 13.2 t -66.37 -43.25 86.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.783 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.486 HD12 ' CG1' ' B' ' 91' ' ' VAL . 0.5 OUTLIER -47.5 -32.9 5.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.326 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.47 -42.9 83.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.945 0.402 . . . . 0.0 111.01 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' B' ' 97' ' ' SER . 4.4 mt -62.53 -37.62 79.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.004 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -78.85 -31.68 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.431 ' HG3' ' CE1' ' B' ' 75' ' ' PHE . 6.5 tt0 -60.47 -48.78 80.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.78 -23.52 60.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.476 HD11 HD22 ' A' ' 9' ' ' LEU . 3.6 tt -69.84 -47.33 63.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' B' ' 106' ' ' LYS . 1.4 p90 -69.01 -46.57 67.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.879 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.453 ' N ' ' CD1' ' B' ' 105' ' ' TYR . 4.7 tttp -60.26 -35.48 75.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.793 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -66.79 -50.13 63.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.57 -25.68 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.235 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 77.5 mt -77.65 -30.32 52.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -76.38 -36.2 58.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.095 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -77.77 -27.84 50.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' ASN . . . . . 0.508 HD21 HD21 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -57.34 -30.53 64.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.953 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.36 71.06 1.0 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.812 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -113.04 -34.48 5.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -136.13 166.99 22.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.95 164.5 33.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 90.0 p -174.13 126.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -151.47 94.69 2.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 60.53 49.27 6.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.028 0.442 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.88 140.63 32.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.796 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -139.1 -176.2 4.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt 62.53 64.51 1.66 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.19 150.22 49.99 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.563 2.175 . . . . 0.0 112.29 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.99 150.28 48.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 2.5 mt -77.55 145.11 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.013 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -97.68 143.21 28.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -110.48 173.75 6.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.752 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.69 38.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.81 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 3.7 t 63.89 138.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -151.35 116.25 5.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 tp -146.84 88.72 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.99 172.71 9.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.7 tptm 60.75 91.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.83 91.28 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.42 124.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 136' ' ' GLU . . . . . 0.772 ' O ' HG22 ' B' ' 137' ' ' ILE . 9.5 mt-10 -144.38 -47.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 137' ' ' ILE . . . . . 0.862 ' O ' HD13 ' B' ' 137' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.94 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -140.54 144.18 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.9 ttt -93.57 -44.28 8.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.06 179.82 6.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -139.8 118.32 12.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -96.84 118.93 34.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.68 168.75 18.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.805 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 6' ' ' LEU . 27.1 p90 -60.86 -43.02 98.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.824 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.796 HD12 ' N ' ' A' ' 7' ' ' ASP . 0.7 OUTLIER -69.15 -18.9 63.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.796 ' N ' HD12 ' A' ' 6' ' ' LEU . 1.2 t0 -58.98 -31.51 68.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -83.14 -28.52 29.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.01 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.785 HD11 HD21 ' B' ' 104' ' ' LEU . 26.6 mt -55.92 160.91 3.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.989 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.43 140.46 53.58 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.698 2.265 . . . . 0.0 112.286 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.73 -29.08 64.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -50.1 69.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mt -80.18 -41.34 25.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.026 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.2 p -55.05 -27.79 47.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.319 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -42.98 56.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.028 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 19' ' ' THR . 9.0 mtpp -68.8 -30.91 69.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.022 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.914 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.1 mt -78.72 -49.7 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.72 -29.56 58.4 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.94 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 16' ' ' LYS . 6.9 t -73.55 -38.64 65.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 111.13 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 17' ' ' ILE . 12.3 p -79.86 -32.56 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.05 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.064 HG11 HD12 ' A' ' 28' ' ' LEU . 60.5 t -62.06 -31.5 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.639 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -28.44 35.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.459 ' O ' HD22 ' A' ' 24' ' ' LEU . 46.0 t -79.82 -47.03 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.962 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.89 HD12 ' HB2' ' A' ' 27' ' ' SER . 2.8 mm? -121.36 67.85 19.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.19 -22.33 72.67 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.39 2.06 . . . . 0.0 111.398 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.6 t -83.96 -40.73 18.13 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.592 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.89 ' HB2' HD12 ' A' ' 24' ' ' LEU . 5.9 t -60.5 -40.75 92.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.878 0.371 . . . . 0.0 110.544 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.064 HD12 HG11 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -46.19 -36.91 6.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.348 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.02 -50.0 70.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 27' ' ' SER . 2.6 mt -59.07 -50.11 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -60.8 -32.86 72.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' HG3' ' CD2' ' A' ' 5' ' ' PHE . 15.1 tt0 -57.21 -50.11 73.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.93 -33.16 65.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.856 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -67.81 -40.74 83.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.368 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.554 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.36 -42.01 72.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.412 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -75.64 -26.31 57.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -58.67 -49.77 76.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.4 42.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.362 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.68 HD11 ' HB1' ' B' ' 108' ' ' ALA . 13.1 mt -80.08 -28.64 39.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.98 -28.03 39.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.464 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -55.13 -33.04 62.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.845 0.355 . . . . 0.0 111.201 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.91 -28.29 66.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.981 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.3 m -69.37 -76.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -110.94 -22.37 11.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t0 68.07 31.16 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.757 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 59.13 93.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -135.22 -46.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -169.96 135.29 1.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -139.99 109.51 6.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.21 154.14 35.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.2 mttt 60.5 99.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.821 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -84.73 149.86 54.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.99 89.91 1.2 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.87 178.84 7.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 mm -82.67 113.58 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.18 132.87 53.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.797 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.47 126.89 1.65 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.2 p -146.2 119.15 8.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.94 175.85 9.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.46 154.94 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.28 -27.55 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -57.4 109.89 0.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.076 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -110.83 36.49 3.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 49.1 p -118.06 125.61 50.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -108.92 164.51 12.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.777 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -137.93 32.49 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.0 pt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.167 -0.921 . . . . 0.0 111.169 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.626 -0.19 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.6 114.36 21.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.89 111.38 14.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -93.19 174.83 7.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.45 126.28 28.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -73.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.95 37.75 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -157.8 -53.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mp -95.21 20.1 9.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -115.21 -34.86 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.916 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -77.54 -67.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.568 HD12 ' N ' ' B' ' 80' ' ' PRO . 1.9 pp -52.8 171.4 0.22 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.711 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.568 ' N ' HD12 ' B' ' 79' ' ' LEU . 88.6 Cg_exo -48.25 90.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.509 2.139 . . . . 0.0 112.254 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -56.79 -27.19 59.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.078 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -60.25 -50.15 74.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.702 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.552 ' C ' HD12 ' B' ' 83' ' ' LEU . 1.2 pp -80.2 -30.16 38.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.79 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -25.9 43.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.765 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -58.02 -43.71 86.9 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.822 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.796 ' O ' HG22 ' B' ' 89' ' ' THR . 0.1 OUTLIER -65.1 -35.69 81.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.703 179.792 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.9 ' O ' HG23 ' B' ' 91' ' ' VAL . 38.5 mt -69.65 -33.17 55.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.775 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.77 -42.58 99.52 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.796 HG22 ' O ' ' B' ' 86' ' ' LYS . 14.0 t -64.07 -31.66 72.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.77 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 23.6 t -80.19 -46.6 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.042 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 87' ' ' ILE . 42.5 t -56.46 -29.5 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -55.78 -31.41 62.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.749 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.446 ' O ' HD12 ' B' ' 94' ' ' LEU . 43.1 t -79.96 -35.42 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.024 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.941 HD23 ' CB ' ' B' ' 97' ' ' SER . 1.0 OUTLIER -136.53 65.07 54.22 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.198 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 95' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' B' ' 94' ' ' LEU . 16.0 Cg_exo -67.47 -28.35 38.74 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.573 2.182 . . . . 0.0 111.747 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 9.8 p -78.69 -38.48 39.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.941 ' CB ' HD23 ' B' ' 94' ' ' LEU . 39.9 t -66.21 -31.08 71.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.749 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.779 HD12 ' O ' ' B' ' 98' ' ' LEU . 0.7 OUTLIER -58.97 -31.63 68.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.03 -30.68 70.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.78 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.444 HD12 HG11 ' A' ' 20' ' ' VAL . 46.5 mt -69.23 -47.49 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -66.95 -27.34 67.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.453 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 43.3 tt0 -56.62 -49.84 73.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.726 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -72.03 -21.82 61.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.783 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.785 HD21 HD11 ' A' ' 9' ' ' LEU . 2.3 tt -71.12 -50.03 37.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.453 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.7 p90 -64.22 -37.12 86.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.777 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -62.21 -31.99 72.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -59.97 -48.42 81.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.68 ' HB1' HD11 ' A' ' 39' ' ' LEU . . . -71.87 -29.06 63.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.43 -45.6 84.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.932 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -74.49 -30.41 61.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.0 -27.78 65.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -55.9 -23.14 29.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.238 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 30.1 t -55.05 -29.73 58.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.047 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -173.14 151.43 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -131.88 175.5 9.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.32 109.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 1.3 m -174.4 -41.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.87 152.99 22.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -66.2 137.58 57.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 111.06 22.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.976 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 17.0 mttp 61.13 -178.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? 60.67 66.26 1.86 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -57.7 84.79 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.613 2.208 . . . . 0.0 112.212 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.95 102.83 4.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.562 ' O ' HG23 ' B' ' 125' ' ' ILE . 2.4 tt -170.76 63.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.25 -66.52 0.95 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -161.66 -169.94 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 64.28 95.2 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 1.3 p -120.14 32.0 6.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.64 153.96 20.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 12.1 mt 60.21 172.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.413 ' O ' HD23 ' B' ' 132' ' ' LEU . 0.3 OUTLIER 60.25 31.13 20.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -160.61 30.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 134' ' ' THR . . . . . 0.437 HG23 ' N ' ' B' ' 135' ' ' ASP . 7.2 t -138.96 -47.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.437 ' N ' HG23 ' B' ' 134' ' ' THR . 1.6 m-20 -131.12 38.96 3.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -137.14 92.35 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.992 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.575 -0.21 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -109.67 31.5 5.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.865 0.364 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -127.55 -64.62 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtt -67.0 -174.05 0.3 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m 62.52 32.08 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -127.73 -176.55 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 mp 62.99 57.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.421 ' CD2' HD11 ' A' ' 28' ' ' LEU . 17.0 t80 -103.12 -42.41 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.734 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.566 HD12 ' H ' ' A' ' 6' ' ' LEU . 4.8 mp -69.14 -31.03 69.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.31 -35.53 76.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -59.28 -59.03 6.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.773 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 17' ' ' ILE . 1.4 pp -66.83 160.8 66.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.796 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.457 ' O ' HD12 ' A' ' 9' ' ' LEU . 80.8 Cg_exo -48.06 170.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.574 2.183 . . . . 0.0 112.524 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -84.11 -38.43 20.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t -58.76 -41.7 87.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.431 HD22 HD11 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -76.24 -36.51 58.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.2 t -57.17 -32.82 66.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -35.77 80.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.699 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -80.1 -32.28 39.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.019 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 21' ' ' VAL . 44.7 mt -76.0 -49.17 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.052 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.48 -28.95 52.48 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.695 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 16' ' ' LYS . 8.9 t -79.98 -33.18 39.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 16' ' ' LYS . 53.3 t -80.03 -36.76 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.002 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 17' ' ' ILE . 47.3 t -54.5 -34.96 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -29.89 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.61 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.625 ' CG1' HD11 ' B' ' 94' ' ' LEU . 25.3 t -80.15 -31.3 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.251 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.745 HD22 ' HB2' ' A' ' 27' ' ' SER . 4.2 mt -147.58 69.41 11.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 111.657 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -61.86 -19.24 64.96 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.311 2.007 . . . . 0.0 111.085 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -89.98 -43.63 10.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.027 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.745 ' HB2' HD22 ' A' ' 24' ' ' LEU . 5.4 t -55.35 -42.44 73.85 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-O 120.864 0.364 . . . . 0.0 110.592 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -59.71 -31.69 69.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.679 179.735 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.39 -47.41 79.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 27' ' ' SER . 3.0 mt -57.17 -48.68 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' B' ' 98' ' ' LEU . 38.5 m-85 -62.68 -28.03 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -58.74 -44.55 90.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -80.18 -24.21 40.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.032 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.758 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -80.09 -50.14 10.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.156 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.744 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -58.53 -35.07 71.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.753 0.311 . . . . 0.0 110.711 -179.834 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.636 ' HA ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -80.06 -29.98 39.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -69.26 -50.09 50.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.16 -25.3 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.377 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.661 HD23 ' HG ' ' B' ' 109' ' ' LEU . 10.2 mt -58.31 -35.34 71.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.08 -28.35 39.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.097 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.39 -25.05 48.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.251 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.437 ' HB3' HD22 ' B' ' 109' ' ' LEU . 46.2 p-10 -56.33 -31.41 63.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 111.065 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.5 p -85.98 155.0 21.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -161.97 31.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.47 153.9 41.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 61.76 150.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.9 p -176.82 -50.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -89.67 162.62 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -109.46 -178.55 3.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.82 95.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.48 156.36 16.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.451 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.0 OUTLIER 177.66 -59.35 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' A' ' 52' ' ' LYS . 42.9 Cg_endo -67.34 111.59 2.33 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.351 2.034 . . . . 0.0 112.328 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.35 53.34 1.95 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.8 mm 51.53 82.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.231 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -161.61 145.11 12.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -99.64 31.43 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.8 t -138.41 69.58 1.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 77.3 p -174.59 39.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.79 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.4 130.18 36.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.51 140.34 41.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -166.92 128.59 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.956 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' N ' HD13 ' A' ' 62' ' ' LEU . 7.2 mttm -120.55 -56.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.56 145.99 50.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.819 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.61 127.51 36.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.489 ' O ' HG22 ' A' ' 67' ' ' ILE . 4.7 mm-40 -142.06 -69.47 0.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 66' ' ' GLU . 2.6 tt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.435 -0.793 . . . . 0.0 111.564 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -153.71 141.56 20.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.04 111.46 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.16 113.75 25.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.6 147.47 47.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.16 131.83 47.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -98.48 29.41 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.429 ' CE2' ' HG2' ' B' ' 102' ' ' GLU . 89.1 t80 -104.17 -32.02 9.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 mp -98.15 30.67 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.75 10.5 4.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -128.02 -57.33 1.25 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 0.0 110.789 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.48 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 0.2 OUTLIER -47.85 165.64 0.22 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.729 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 80' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 93.3 Cg_exo -42.67 94.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.578 2.185 . . . . 0.0 112.37 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -28.87 2.53 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.336 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -59.39 -45.11 92.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.913 0.387 . . . . 0.0 110.725 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.16 -35.75 36.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.755 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 28.3 p -53.97 -27.66 32.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -58.56 -43.72 89.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.791 ' O ' HG23 ' B' ' 90' ' ' VAL . 0.0 OUTLIER -79.13 -34.45 43.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.805 179.796 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.939 ' O ' HG23 ' B' ' 91' ' ' VAL . 54.8 mt -66.34 -50.27 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.803 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.68 -26.35 57.22 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.263 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.89 -35.59 37.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.961 0.41 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.791 HG23 ' O ' ' B' ' 86' ' ' LYS . 21.5 t -80.16 -29.31 12.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.381 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.939 HG23 ' O ' ' B' ' 87' ' ' ILE . 59.9 t -55.07 -31.22 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.155 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -54.54 -36.66 64.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.759 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 40.9 t -80.03 -46.28 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.984 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.725 HD23 ' CB ' ' B' ' 97' ' ' SER . 5.9 mp -125.58 74.13 69.21 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' PRO . . . . . 0.447 ' HA ' HG13 ' B' ' 91' ' ' VAL . 59.1 Cg_endo -72.24 -29.19 14.51 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.538 2.159 . . . . 0.0 111.952 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.7 m -84.22 -34.33 23.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.773 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' SER . . . . . 0.725 ' CB ' HD23 ' B' ' 94' ' ' LEU . 1.7 t -60.19 -43.43 95.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.798 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -59.47 -28.98 67.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.681 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.48 -47.86 82.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.025 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' B' ' 97' ' ' SER . 2.1 mp -58.71 -50.03 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.236 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 33.1 m-85 -59.8 -32.89 71.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.429 ' HG2' ' CE2' ' B' ' 75' ' ' PHE . 87.3 mt-10 -63.91 -39.62 94.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.687 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.13 -24.41 40.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.428 HD11 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -67.26 -50.05 62.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.446 ' CZ ' ' HG3' ' B' ' 106' ' ' LYS . 0.8 OUTLIER -62.97 -34.66 77.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.743 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.446 ' HG3' ' CZ ' ' B' ' 105' ' ' TYR . 7.3 mtpm? -76.78 -32.64 57.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.628 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -73.66 -47.28 41.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.634 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.99 -13.11 61.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.429 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.661 ' HG ' HD23 ' A' ' 39' ' ' LEU . 3.1 mt -75.67 -31.15 59.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.766 0.317 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -80.06 -40.97 26.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.046 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -27.38 65.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -56.77 -26.78 58.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.049 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 2.3 m 62.68 146.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -114.7 -35.11 4.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -114.73 -69.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.2 174.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.77 159.76 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -130.13 64.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -68.24 103.64 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -87.74 -67.12 0.85 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 8.9 tttp 61.13 156.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -99.75 150.42 36.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.23 62.75 3.44 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.567 2.178 . . . . 0.0 112.337 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -146.89 110.42 4.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.458 HD12 ' N ' ' B' ' 125' ' ' ILE . 3.8 mp -132.81 -45.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.254 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -120.19 -42.43 2.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -94.48 96.86 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.6 p -141.44 134.33 28.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.18 120.94 37.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -105.1 -31.32 9.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 1.5 mp -113.79 173.51 6.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 11.0 mt 60.42 177.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? 60.67 41.68 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 25.0 p -103.43 -31.65 9.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -149.12 39.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -143.43 118.2 9.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' ILE . . . . . 0.461 HG23 ' OXT' ' B' ' 137' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.075 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.83 0.347 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.9 m -58.77 -40.32 83.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.643 HD22 HD11 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -80.0 -45.0 19.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.7 p -58.39 -25.54 62.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.099 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -50.05 16.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.018 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.446 ' O ' HG22 ' A' ' 19' ' ' THR . 0.0 OUTLIER -67.79 -29.06 68.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.078 -179.773 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.81 ' O ' HG23 ' A' ' 21' ' ' VAL . 17.5 mt -80.02 -48.91 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.065 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.15 -26.57 58.84 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.93 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 16' ' ' LYS . 9.9 t -78.59 -39.35 37.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.837 0.351 . . . . 0.0 111.177 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.479 HG21 ' OG ' ' B' ' 97' ' ' SER . 11.5 p -80.13 -36.75 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 17' ' ' ILE . 93.4 t -57.4 -35.57 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.89 -32.95 15.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.554 ' O ' HD22 ' A' ' 24' ' ' LEU . 42.7 t -80.19 -44.11 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.104 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.855 HD12 ' HB2' ' A' ' 27' ' ' SER . 3.6 mm? -123.11 74.96 50.02 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.32 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.86 -10.39 28.36 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.524 2.149 . . . . 0.0 111.893 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -102.27 -32.25 10.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.855 ' HB2' HD12 ' A' ' 24' ' ' LEU . 5.4 t -67.25 -48.95 66.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.828 0.347 . . . . 0.0 110.715 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.928 HD13 ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -57.96 -19.66 32.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.241 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.928 ' N ' HD13 ' A' ' 28' ' ' LEU . 4.3 tm-20 -69.38 -41.68 76.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 110.668 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.481 HG21 HG12 ' B' ' 87' ' ' ILE . 10.8 mt -66.53 -47.49 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.49 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 20.3 m-85 -62.9 -29.94 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 15.8 tt0 -58.78 -39.7 81.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.604 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.1 -24.9 40.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.753 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.28 -50.02 61.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.042 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -63.42 -33.34 75.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.849 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.428 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 12.3 mttm -70.15 -32.09 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.774 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -60.07 -49.52 77.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.79 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.08 -29.12 66.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.786 0.327 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.686 ' HA ' HD12 ' B' ' 87' ' ' ILE . 3.8 m -49.94 -28.14 6.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.317 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -59.14 -44.5 92.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.708 ' O ' HG22 ' B' ' 89' ' ' THR . 0.8 OUTLIER -80.05 -29.9 39.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.018 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.925 ' O ' HG23 ' B' ' 91' ' ' VAL . 64.7 mt -63.21 -50.15 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.863 0.363 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -49.3 -48.3 33.5 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.957 -0.639 . . . . 0.0 113.08 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.708 HG22 ' O ' ' B' ' 86' ' ' LYS . 14.2 t -62.24 -32.47 73.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.687 0.28 . . . . 0.0 111.081 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.652 HG23 ' O ' ' B' ' 86' ' ' LYS . 25.6 t -80.39 -40.09 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 87' ' ' ILE . 21.4 t -52.73 -31.9 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.389 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.63 -35.69 68.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.026 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.16 -46.46 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.449 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' B' ' 97' ' ' SER . 4.2 mm? -115.67 75.65 5.27 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.529 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.73 -19.68 20.92 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.483 2.122 . . . . 0.0 111.842 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 75.1 p -93.95 -37.4 11.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.958 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.843 ' HB2' HD12 ' B' ' 94' ' ' LEU . 2.7 t -56.92 -50.01 73.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.657 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.436 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -51.82 -33.8 37.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -31.47 69.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 42.7 mt -72.68 -50.13 36.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.49 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 47.9 m-85 -62.43 -30.11 71.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.441 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 6.9 tt0 -60.63 -42.29 96.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.541 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.05 -23.27 52.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.622 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.53 -50.14 47.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.5 p90 -62.59 -35.17 78.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.759 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.48 ' HA ' HD12 ' B' ' 109' ' ' LEU . 0.2 OUTLIER -72.7 -31.85 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.762 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -66.85 -50.12 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.809 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.05 -31.04 68.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' B' ' 106' ' ' LYS . 1.4 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 m -59.95 -50.0 75.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.09 -30.88 67.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.35 -25.61 49.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -43.24 66.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.551 ' O ' HG22 ' A' ' 19' ' ' THR . 0.1 OUTLIER -76.67 -33.28 58.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.983 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.728 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.8 mt -77.29 -33.26 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.979 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.77 -31.66 73.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.823 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 16' ' ' LYS . 5.8 t -70.97 -38.09 72.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.733 0.301 . . . . 0.0 111.012 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 21' ' ' VAL . 12.4 p -80.36 -44.97 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.238 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.815 HG13 HD22 ' A' ' 28' ' ' LEU . 97.2 t -59.94 -34.82 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.212 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -51.99 -29.29 20.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.811 0.338 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.433 ' O ' HD22 ' A' ' 24' ' ' LEU . 30.1 t -80.04 -42.51 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.065 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.88 HD12 ' HB2' ' A' ' 27' ' ' SER . 4.0 mm? -119.47 75.7 17.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.459 ' HA ' ' CD2' ' A' ' 28' ' ' LEU . 60.1 Cg_endo -72.19 -7.11 20.39 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.556 2.171 . . . . 0.0 112.085 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.65 -27.46 9.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.071 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.88 ' HB2' HD12 ' A' ' 24' ' ' LEU . 3.8 t -70.62 -49.51 46.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.633 0.254 . . . . 0.0 111.138 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.815 HD22 HG13 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -46.1 -29.52 1.55 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 -179.693 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -59.06 -47.71 84.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 27' ' ' SER . 3.2 mt -59.81 -35.34 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.772 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -72.28 -31.87 66.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.03 -31.8 70.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.517 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.68 -50.15 53.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.527 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 35' ' ' TYR . 4.1 pp -72.74 -26.76 61.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.503 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.66 ' N ' HD12 ' A' ' 34' ' ' LEU . 1.3 t80 -70.48 -46.56 63.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.463 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -80.08 -36.67 35.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -59.87 -50.13 74.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.6 -28.98 66.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.228 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.917 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.786 0.327 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.6 ' HA ' HD12 ' B' ' 87' ' ' ILE . 35.2 t -47.7 -29.02 2.72 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.282 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -57.3 -43.8 83.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.443 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -80.18 -15.52 56.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.311 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.873 ' O ' HG23 ' B' ' 91' ' ' VAL . 31.7 mt -79.81 -49.95 18.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.88 0.371 . . . . 0.0 111.352 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.08 -25.32 38.5 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.958 -0.639 . . . . 0.0 113.018 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.443 HG22 ' O ' ' B' ' 86' ' ' LYS . 5.8 t -80.09 -39.8 28.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.705 0.288 . . . . 0.0 111.309 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.507 HG21 ' OG ' ' A' ' 27' ' ' SER . 13.8 p -80.17 -38.37 18.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.383 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.873 HG23 ' O ' ' B' ' 87' ' ' ILE . 47.6 t -55.95 -29.67 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.153 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -34.86 62.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.675 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 45.9 t -80.03 -45.0 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.909 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.812 HD23 ' CB ' ' B' ' 97' ' ' SER . 3.0 mp -116.34 70.43 4.3 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.01 -3.54 13.98 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.597 2.198 . . . . 0.0 112.479 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.15 -33.9 6.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 0.0 111.024 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.812 ' CB ' HD23 ' B' ' 94' ' ' LEU . 8.6 t -68.94 -37.96 79.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.947 HD13 ' N ' ' B' ' 99' ' ' GLU . 0.0 OUTLIER -59.03 -19.24 41.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.947 ' N ' HD13 ' B' ' 98' ' ' LEU . 0.7 OUTLIER -71.71 -31.13 66.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.831 0.348 . . . . 0.0 110.847 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 44.8 mt -70.99 -37.03 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.993 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -73.74 -31.47 63.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 0.6 OUTLIER -60.3 -49.95 75.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.639 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -70.56 -25.79 63.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.514 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -50.06 65.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.2 p90 -65.72 -29.68 70.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.723 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.705 ' HA ' HD12 ' B' ' 109' ' ' LEU . 0.1 OUTLIER -78.3 -33.4 49.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -64.39 -50.18 68.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.776 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.53 -23.36 62.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.319 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' B' ' 106' ' ' LYS . 17.5 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -39.83 81.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.02 -47.02 21.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.4 t -52.08 -26.55 11.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.226 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -70.05 -44.12 69.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.75 ' O ' HG22 ' A' ' 19' ' ' THR . 0.0 OUTLIER -79.97 -43.13 22.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.8 mt -64.71 -30.1 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.5 -46.61 93.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.827 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.75 HG22 ' O ' ' A' ' 16' ' ' LYS . 10.6 t -60.57 -31.56 70.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.825 0.345 . . . . 0.0 111.083 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.9 t -80.33 -45.53 22.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.214 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 17' ' ' ILE . 61.7 t -55.84 -31.77 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -31.28 50.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.792 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.3 t -80.12 -49.99 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.001 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.693 HD23 ' CB ' ' A' ' 27' ' ' SER . 1.6 mp -110.95 74.82 1.01 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.309 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.519 ' HA ' HD23 ' A' ' 28' ' ' LEU . 73.0 Cg_endo -75.9 -8.58 19.12 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.48 2.12 . . . . 0.0 112.33 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.2 p -108.73 -37.04 6.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.039 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.693 ' CB ' HD23 ' A' ' 24' ' ' LEU . 14.9 t -61.99 -34.94 77.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.731 HD22 HG13 ' A' ' 21' ' ' VAL . 1.5 pp -58.94 -28.82 66.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.846 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -38.64 70.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.949 0.404 . . . . 0.0 110.631 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -72.53 -37.28 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.558 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -72.44 -38.44 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.681 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.443 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -61.94 -41.01 97.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.381 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -31.25 58.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.429 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 34' ' ' LEU . 2.9 tt -60.15 -50.02 75.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.605 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -70.77 -25.34 62.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.939 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -69.48 -50.12 48.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.281 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.424 ' CE2' ' HA ' ' A' ' 34' ' ' LEU . 1.3 p90 -70.46 -30.58 67.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.817 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.89 -30.9 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.019 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.415 HD21 ' HB1' ' B' ' 108' ' ' ALA . 4.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.796 0.332 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.4 p -55.95 -28.81 58.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.007 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -37.26 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.603 ' O ' HG22 ' B' ' 89' ' ' THR . 25.7 mtpt -80.09 -30.8 39.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.885 ' O ' HG23 ' B' ' 91' ' ' VAL . 41.7 mt -70.49 -37.37 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.92 -48.03 87.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.798 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.603 HG22 ' O ' ' B' ' 86' ' ' LYS . 11.8 t -59.87 -31.76 70.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.657 0.265 . . . . 0.0 111.12 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 86' ' ' LYS . 38.5 t -80.08 -43.85 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.022 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 1.015 HG11 HD12 ' B' ' 98' ' ' LEU . 49.5 t -58.58 -31.06 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -52.8 -32.05 41.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.058 0.456 . . . . 0.0 110.709 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.568 ' O ' HD22 ' B' ' 94' ' ' LEU . 49.0 t -80.1 -37.6 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.041 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.847 HD12 ' HB2' ' B' ' 97' ' ' SER . 4.0 mm? -123.71 71.63 50.14 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.32 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.94 -15.27 43.31 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.411 2.074 . . . . 0.0 111.832 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.6 p -96.21 -38.42 10.14 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.847 ' HB2' HD12 ' B' ' 94' ' ' LEU . 4.4 t -59.06 -46.73 87.53 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.919 0.39 . . . . 0.0 110.8 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 1.015 HD12 HG11 ' B' ' 91' ' ' VAL . 0.2 OUTLIER -45.19 -39.53 6.32 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.428 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -54.6 -48.09 72.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.065 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' B' ' 97' ' ' SER . 2.3 mp -63.87 -36.39 76.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -73.11 -29.4 62.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.969 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 3.5 mt-10 -57.42 -41.99 81.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -79.02 -25.96 43.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 tt -66.5 -49.93 64.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.9 OUTLIER -68.3 -32.16 72.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.41 -31.3 63.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -58.52 -49.34 77.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.415 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -64.08 -28.84 70.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.79 0.328 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.8 p -57.67 -47.31 82.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.055 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.98 -35.12 37.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.9 t -53.02 -27.33 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.256 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -44.62 90.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.179 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.742 ' O ' HG23 ' A' ' 20' ' ' VAL . 24.1 mttt -79.96 -42.63 23.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.728 ' O ' HG23 ' A' ' 21' ' ' VAL . 68.5 mt -59.61 -47.13 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.076 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.27 -26.19 69.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.664 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.02 -29.04 39.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.744 0.307 . . . . 0.0 111.319 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 16' ' ' LYS . 20.1 t -80.06 -30.1 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.588 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.861 HG22 ' CD1' ' A' ' 28' ' ' LEU . 22.0 t -53.46 -33.35 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.231 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -56.29 -28.16 57.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.879 HG12 HD21 ' B' ' 94' ' ' LEU . 23.6 t -79.99 -30.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.77 HD12 ' HB2' ' B' ' 94' ' ' LEU . 2.8 mt -145.49 69.53 13.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.187 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.05 -8.9 24.58 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.304 2.003 . . . . 0.0 111.724 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.49 -35.28 9.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.698 ' CB ' HD13 ' A' ' 24' ' ' LEU . 41.6 t -67.64 -41.35 84.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.861 0.362 . . . . 0.0 110.815 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.861 ' CD1' HG22 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -52.88 -28.72 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -60.25 -29.16 68.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.4 mt -79.48 -44.8 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.209 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 16.6 m-85 -64.78 -45.13 87.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.057 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 22.4 pt-20 -58.52 -41.65 85.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -76.67 -25.7 54.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.012 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 34' ' ' LEU . 4.5 tt -68.23 -50.03 56.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.455 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.2 p90 -66.67 -41.53 87.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.443 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -61.56 -36.22 80.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -66.91 -50.03 63.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.8 -23.71 66.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.386 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.5 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.16 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.741 0.305 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.645 ' HA ' HD12 ' B' ' 87' ' ' ILE . 0.4 OUTLIER -49.45 -28.44 5.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -45.3 93.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.738 ' O ' HG22 ' B' ' 89' ' ' THR . 7.3 mtpt -80.04 -30.24 39.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.892 ' O ' HG23 ' B' ' 91' ' ' VAL . 34.1 mt -67.26 -44.7 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.18 -45.07 57.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.818 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.738 HG22 ' O ' ' B' ' 86' ' ' LYS . 14.6 t -64.45 -30.94 71.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.602 HG23 ' O ' ' B' ' 86' ' ' LYS . 24.9 t -80.22 -38.41 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.228 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 87' ' ' ILE . 20.2 t -55.21 -38.83 48.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.348 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -27.63 10.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.432 HG12 ' CD2' ' B' ' 94' ' ' LEU . 17.8 t -80.0 -49.94 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.879 HD21 HG12 ' A' ' 23' ' ' VAL . 4.2 mm? -120.56 72.97 21.71 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.6 -10.58 28.19 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.439 2.093 . . . . 0.0 112.237 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.7 p -104.16 -31.45 9.62 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.07 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.839 ' HB2' HD12 ' B' ' 94' ' ' LEU . 4.0 t -67.3 -43.5 81.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.582 HD12 HG22 ' B' ' 91' ' ' VAL . 0.6 OUTLIER -53.68 -27.31 26.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.204 -179.766 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.09 -35.72 73.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.776 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.596 HG21 HG12 ' A' ' 17' ' ' ILE . 34.5 mt -80.08 -33.93 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 25.1 m-85 -75.56 -42.86 51.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.431 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 12.3 pt-20 -55.95 -41.48 74.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.766 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -78.67 -17.6 55.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.444 ' O ' HD23 ' B' ' 104' ' ' LEU . 1.4 tt -75.7 -50.15 16.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.088 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.431 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 2.2 p90 -61.32 -39.39 90.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.894 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.411 ' N ' ' CD1' ' B' ' 105' ' ' TYR . 0.8 OUTLIER -68.69 -31.4 70.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.787 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -60.41 -50.04 75.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.18 63.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.806 0.336 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -49.1 78.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.35 -44.08 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.6 m -50.09 -27.39 5.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.274 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.1 mtp85 -69.44 -48.21 61.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.706 ' O ' HG23 ' A' ' 20' ' ' VAL . 87.4 mttt -73.69 -40.04 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.906 ' O ' HG23 ' A' ' 21' ' ' VAL . 65.7 mt -64.65 -50.18 76.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.798 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.72 -25.97 56.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.425 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -34.67 37.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.675 0.274 . . . . 0.0 111.124 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 16' ' ' LYS . 23.3 t -80.04 -32.2 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.59 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 17' ' ' ILE . 42.3 t -50.14 -39.05 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.813 0.34 . . . . 0.0 111.265 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.57 -28.36 8.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.921 HG12 HD11 ' B' ' 94' ' ' LEU . 25.9 t -80.1 -32.87 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.825 HD13 ' CB ' ' A' ' 27' ' ' SER . 3.6 mt -144.32 70.85 16.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.408 . . . . 0.0 111.444 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.83 -12.65 35.04 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.257 1.972 . . . . 0.0 111.488 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 p -96.81 -40.55 8.88 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.033 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.825 ' CB ' HD13 ' A' ' 24' ' ' LEU . 13.3 t -59.93 -42.39 93.88 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.808 0.337 . . . . 0.0 110.705 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.569 HD12 HG22 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -54.07 -34.46 60.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.16 -27.01 65.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.449 HG21 HG12 ' B' ' 87' ' ' ILE . 40.1 mt -73.28 -50.11 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.205 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -59.97 -34.3 73.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -57.2 -50.16 73.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.824 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -41.73 95.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.665 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mt -65.77 -46.86 77.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.578 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -35.33 79.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.677 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -79.95 -32.62 39.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.837 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -66.62 -49.16 67.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.48 -21.08 35.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.541 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.1 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.02 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.792 0.33 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 31.3 m -51.03 -27.26 7.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.268 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -58.97 -41.99 88.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.741 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -80.17 -30.2 38.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.856 ' O ' HG23 ' B' ' 91' ' ' VAL . 32.1 mt -69.28 -37.16 75.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.019 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.27 -42.05 95.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.728 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.741 HG22 ' O ' ' B' ' 86' ' ' LYS . 13.3 t -66.31 -28.75 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.761 0.315 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 86' ' ' LYS . 21.5 t -80.06 -35.11 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.258 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.856 HG23 ' O ' ' B' ' 87' ' ' ILE . 21.7 t -58.31 -32.43 44.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -56.76 -30.34 63.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.109 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.605 ' O ' HD12 ' B' ' 94' ' ' LEU . 20.6 t -79.99 -38.23 18.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.305 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.921 HD11 HG12 ' A' ' 23' ' ' VAL . 6.6 mp -134.3 70.35 73.18 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.26 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.45 -23.96 27.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.494 2.129 . . . . 0.0 111.959 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.8 m -86.91 -31.77 20.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.823 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.622 ' CB ' HD23 ' B' ' 94' ' ' LEU . 3.8 t -66.08 -46.79 76.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.749 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.411 HD12 HG22 ' B' ' 91' ' ' VAL . 0.6 OUTLIER -49.97 -30.0 9.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.307 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.69 -48.02 78.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.68 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' B' ' 97' ' ' SER . 2.1 mp -63.69 -39.79 86.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.419 ' CZ ' ' HG ' ' A' ' 28' ' ' LEU . 30.3 m-85 -72.64 -28.38 62.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.933 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -54.69 -44.0 73.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 0.0 110.741 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -23.4 41.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.733 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.448 ' O ' HD23 ' B' ' 104' ' ' LEU . 1.2 tt -70.31 -50.27 41.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.107 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.38 -31.84 71.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.703 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -80.09 -31.98 39.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.671 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -60.63 -50.06 75.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.746 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.37 -21.35 49.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.268 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.013 -179.899 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.778 0.323 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 m -77.78 -33.34 52.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -30.27 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.97 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -28.15 40.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.164 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -74.15 -35.81 64.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' O ' HG22 ' A' ' 19' ' ' THR . 12.2 mtmm -80.01 -29.48 39.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.931 ' O ' HG23 ' A' ' 21' ' ' VAL . 28.9 mt -79.95 -48.28 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.35 -25.15 62.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.988 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 16' ' ' LYS . 10.2 t -79.97 -39.49 29.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.721 0.296 . . . . 0.0 111.352 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.617 HG21 ' OG ' ' B' ' 97' ' ' SER . 14.3 p -72.14 -31.22 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.203 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 17' ' ' ILE . 40.0 t -55.05 -30.92 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.745 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -27.99 62.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.728 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.588 HG12 HD22 ' A' ' 24' ' ' LEU . 46.7 t -78.09 -50.13 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.933 HD23 HD13 ' B' ' 94' ' ' LEU . 4.0 mm? -117.18 77.12 9.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.54 -8.24 22.21 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.564 2.176 . . . . 0.0 112.283 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -110.12 -31.76 7.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.017 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.761 ' HB2' HD12 ' A' ' 24' ' ' LEU . 1.7 t -64.86 -48.26 74.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.786 HD13 HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -47.46 -29.22 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.218 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -33.22 68.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.724 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.408 HG21 HG12 ' B' ' 87' ' ' ILE . 13.9 mt -80.24 -40.61 20.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.471 ' CE1' HD11 ' B' ' 98' ' ' LEU . 12.2 m-85 -69.4 -45.92 68.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.066 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.417 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -55.31 -38.68 69.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.786 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -80.03 -23.07 41.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.732 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.475 ' O ' HD23 ' A' ' 34' ' ' LEU . 1.5 tt -70.02 -50.07 45.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.417 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 1.6 p90 -66.81 -31.0 71.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.957 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -31.52 67.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -59.65 -50.08 75.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.65 -19.42 65.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.335 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 61.2 mt . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.836 0.351 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -54.82 -36.24 64.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.998 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -39.37 81.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.689 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.901 ' O ' HG22 ' B' ' 89' ' ' THR . 0.2 OUTLIER -79.99 -45.47 18.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.591 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.918 ' O ' HG23 ' B' ' 91' ' ' VAL . 34.4 mt -63.58 -33.4 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.707 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.44 -28.37 62.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.095 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.901 HG22 ' O ' ' B' ' 86' ' ' LYS . 9.7 t -80.07 -34.58 37.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.822 0.311 . . . . 0.0 111.471 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.424 HG12 ' O ' ' B' ' 87' ' ' ILE . 15.0 p -80.4 -36.28 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.752 0.31 . . . . 0.0 111.171 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 87' ' ' ILE . 61.2 t -57.81 -26.09 27.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.31 -43.37 83.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.987 0.422 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 47.3 t -80.25 -27.27 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.578 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.933 HD13 HD23 ' A' ' 24' ' ' LEU . 12.6 tp -129.49 55.54 19.02 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.249 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' B' ' 94' ' ' LEU . 88.7 Cg_endo -82.47 -2.66 11.15 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.696 2.264 . . . . 0.0 112.543 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 13.3 t -103.26 -36.86 7.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.242 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.617 ' OG ' HG21 ' A' ' 20' ' ' VAL . 3.6 t -66.71 -46.73 74.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.797 0.332 . . . . 0.0 111.019 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.471 HD11 ' CE1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -45.57 -29.66 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.465 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -57.64 -36.87 72.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.373 . . . . 0.0 110.787 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.554 HD12 ' O ' ' B' ' 97' ' ' SER . 3.0 mp -74.68 -33.82 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -73.96 -30.7 62.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.448 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -59.82 -49.41 77.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.572 179.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -19.47 61.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.91 -50.04 26.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.043 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.559 ' O ' HD12 ' B' ' 109' ' ' LEU . 1.7 p90 -62.11 -28.54 69.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.914 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.447 ' CG ' ' CE1' ' B' ' 105' ' ' TYR . 6.8 mtpm? -77.3 -32.27 55.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.823 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -67.47 -50.11 60.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.01 -29.9 69.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.061 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . 0.559 HD12 ' O ' ' B' ' 105' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.786 0.326 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 m -63.13 -43.01 99.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.651 HD23 ' HE2' ' A' ' 16' ' ' LYS . 6.1 mt -74.2 -50.08 20.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.023 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.432 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.4 t -49.46 -27.38 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.299 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -65.49 -42.34 92.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.061 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.651 ' HE2' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -80.01 -16.88 54.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.504 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.919 ' O ' HG23 ' A' ' 21' ' ' VAL . 70.4 mt -80.08 -49.92 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.84 -26.1 32.17 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.954 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 16' ' ' LYS . 6.6 t -80.03 -39.09 30.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.733 0.267 . . . . 0.0 111.441 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 17' ' ' ILE . 13.6 p -79.87 -30.45 13.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.772 0.32 . . . . 0.0 111.454 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.0 t -60.18 -33.96 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.757 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -58.27 -26.16 62.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 t -80.02 -34.77 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.841 HD13 ' CB ' ' A' ' 27' ' ' SER . 1.6 mt -137.22 66.25 52.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 0.0 111.208 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.66 -11.62 31.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.397 2.065 . . . . 0.0 111.834 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -40.9 8.52 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.841 ' CB ' HD13 ' A' ' 24' ' ' LEU . 1.8 t -61.41 -37.68 84.35 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.836 0.35 . . . . 0.0 110.645 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.764 HD13 HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -54.55 -28.72 47.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -58.81 -38.72 79.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.3 mt -69.27 -49.06 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -63.92 -29.7 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 25.0 tt0 -58.2 -41.63 84.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -79.98 -22.71 42.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 34' ' ' LEU . 2.7 tt -71.53 -46.85 58.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.185 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.44 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.6 p90 -70.51 -31.35 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.008 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.436 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 16.4 mtpt -76.26 -30.52 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.64 -50.1 70.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.43 71.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.161 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 35' ' ' TYR . 5.1 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.774 0.321 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.565 ' HA ' HD12 ' B' ' 87' ' ' ILE . 11.6 m -50.19 -28.43 7.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -44.17 95.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.472 ' O ' HG22 ' B' ' 89' ' ' THR . 4.6 mtmt -80.14 -21.92 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.178 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.817 ' O ' HG23 ' B' ' 91' ' ' VAL . 35.2 mt -80.02 -43.19 22.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.818 0.342 . . . . 0.0 111.175 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.83 -30.39 69.41 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.918 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.472 HG22 ' O ' ' B' ' 86' ' ' LYS . 8.9 t -75.65 -38.29 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.664 0.269 . . . . 0.0 111.148 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 11.0 p -79.98 -37.99 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.243 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.817 HG23 ' O ' ' B' ' 87' ' ' ILE . 92.5 t -58.24 -33.68 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -27.72 24.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.997 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.685 ' O ' HD22 ' B' ' 94' ' ' LEU . 40.3 t -79.86 -44.46 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.981 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.833 HD12 ' HB2' ' B' ' 97' ' ' SER . 4.3 mm? -127.84 72.14 78.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.279 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.42 -16.37 51.01 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.441 2.094 . . . . 0.0 111.901 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -37.84 9.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.833 ' HB2' HD12 ' B' ' 94' ' ' LEU . 1.6 t -61.72 -36.68 81.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.823 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.671 HD12 ' O ' ' B' ' 98' ' ' LEU . 1.1 tp -61.92 -36.0 80.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.699 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.33 -30.67 60.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.958 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 29.2 mt -70.8 -44.59 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.411 ' HZ ' HD11 ' A' ' 28' ' ' LEU . 12.5 m-85 -73.95 -31.73 63.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.433 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 65.2 tt0 -60.25 -43.85 95.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -80.04 -22.58 42.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.449 ' O ' HD23 ' B' ' 104' ' ' LEU . 1.1 tt -68.64 -49.93 55.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.175 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.5 OUTLIER -61.88 -40.64 96.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.939 -179.75 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -30.53 69.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -70.58 -50.07 41.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.07 -22.9 63.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.347 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.987 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.761 0.315 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.29 -48.33 82.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.8 mt -80.04 -39.8 29.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 t -50.2 -27.43 5.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -64.28 -48.42 75.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -43.17 22.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.792 ' O ' HG23 ' A' ' 21' ' ' VAL . 66.1 mt -59.73 -50.04 81.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.01 -27.52 64.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.62 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.13 -42.52 23.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.812 0.339 . . . . 0.0 111.268 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.541 HG21 ' HB2' ' B' ' 97' ' ' SER . 11.9 p -74.87 -45.03 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.461 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 17' ' ' ILE . 74.6 t -53.72 -27.67 15.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.133 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -56.97 -29.96 63.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.617 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.79 -50.1 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.955 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.068 HD13 HD13 ' B' ' 94' ' ' LEU . 1.4 mp -118.01 65.32 5.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.12 -26.56 30.49 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.646 2.23 . . . . 0.0 112.1 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 p -82.88 -37.45 24.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.81 ' CB ' HD23 ' A' ' 24' ' ' LEU . 4.1 t -68.5 -29.53 68.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.801 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.759 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -60.26 -30.34 69.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.614 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.25 -40.4 85.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.813 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.8 mt -65.75 -44.56 93.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.416 ' CD2' ' CE2' ' B' ' 101' ' ' PHE . 32.9 m-85 -64.9 -27.81 69.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -57.25 -48.66 78.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -72.45 -23.83 61.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.637 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -50.12 60.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.482 ' HD1' HD12 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -67.17 -32.45 73.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -76.41 -35.08 58.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.76 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.32 -50.1 74.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.72 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.16 -23.3 64.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.245 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.784 HD11 ' HB1' ' B' ' 108' ' ' ALA . 2.5 mt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 32.1 t -52.58 -26.76 14.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -59.24 -46.51 88.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -35.81 35.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.842 ' O ' HG23 ' B' ' 91' ' ' VAL . 52.1 mt -68.31 -50.11 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.46 -22.16 58.51 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.477 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.5 -40.11 30.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 27' ' ' SER . 11.2 p -80.15 -39.38 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.243 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.842 HG23 ' O ' ' B' ' 87' ' ' ILE . 56.2 t -57.98 -29.19 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 4.7 mtp-105 -56.05 -30.21 61.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.737 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 58.5 t -80.03 -49.94 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 1.068 HD13 HD13 ' A' ' 24' ' ' LEU . 1.1 mp -116.19 65.55 2.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.43 -40.77 5.42 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.538 2.159 . . . . 0.0 112.058 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.7 p -68.41 -32.62 72.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.561 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.593 ' CB ' HD23 ' B' ' 94' ' ' LEU . 11.9 t -70.25 -31.47 68.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.769 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.627 HD22 HG11 ' B' ' 91' ' ' VAL . 0.8 OUTLIER -60.35 -31.77 70.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.398 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -31.66 68.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.485 HG21 HG12 ' A' ' 17' ' ' ILE . 43.3 mt -67.77 -49.84 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.025 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.416 ' CE2' ' CD2' ' A' ' 31' ' ' PHE . 12.7 m-85 -64.81 -37.58 88.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.763 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 2.3 mt-10 -61.16 -49.26 77.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.493 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -28.12 65.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.513 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.556 ' C ' HD23 ' B' ' 104' ' ' LEU . 8.3 tt -62.79 -50.02 72.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.733 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.0 OUTLIER -69.41 -20.08 63.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -50.2 74.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.331 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -78.5 -28.17 46.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.064 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.784 ' HB1' HD11 ' A' ' 39' ' ' LEU . . . -57.15 -29.37 63.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.185 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.024 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.747 0.308 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -48.38 79.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.783 HD22 HD11 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -66.79 -48.48 68.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.532 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -50.55 -28.3 8.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -34.7 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -80.11 -32.44 39.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.019 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.957 ' O ' HG23 ' A' ' 21' ' ' VAL . 38.0 mt -66.55 -50.32 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.087 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.24 -22.02 57.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.721 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -37.33 34.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.728 0.299 . . . . 0.0 111.102 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 17' ' ' ILE . 12.1 p -80.15 -30.77 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.557 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.957 HG23 ' O ' ' A' ' 17' ' ' ILE . 45.2 t -56.62 -34.98 43.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.166 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -54.25 -28.83 44.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.819 HG12 HD21 ' B' ' 94' ' ' LEU . 21.3 t -80.03 -38.15 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.186 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.842 HD13 ' CB ' ' A' ' 27' ' ' SER . 2.8 mt -137.19 70.59 55.28 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.278 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.3 -7.38 20.85 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.447 2.098 . . . . 0.0 111.893 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 m -104.85 -33.93 8.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.253 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.842 ' CB ' HD13 ' A' ' 24' ' ' LEU . 9.9 t -70.51 -32.74 70.33 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -34.97 63.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -58.21 -32.89 68.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.5 mt -64.73 -45.79 94.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.808 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.452 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 51.9 m-85 -71.09 -25.91 62.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.434 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -56.42 -40.78 75.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.978 0.418 . . . . 0.0 110.622 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.12 -25.41 39.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.69 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.9 -50.11 65.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -63.15 -37.03 85.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.971 0.415 . . . . 0.0 110.822 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -76.84 -31.09 56.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.766 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -59.87 -50.11 75.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.712 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.56 -31.25 71.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.757 0.313 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.46 ' HA ' HD12 ' B' ' 87' ' ' ILE . 49.9 m -54.59 -30.76 55.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.018 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -42.68 94.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.864 ' O ' HG22 ' B' ' 89' ' ' THR . 0.4 OUTLIER -78.06 -39.63 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.888 ' O ' HG23 ' B' ' 91' ' ' VAL . 20.2 mt -63.7 -32.5 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.73 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.14 -46.62 92.5 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.552 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.864 HG22 ' O ' ' B' ' 86' ' ' LYS . 13.9 t -60.94 -30.22 70.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.822 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 19.2 t -80.13 -36.14 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 87' ' ' ILE . 38.2 t -58.1 -37.58 62.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.11 -26.88 7.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.075 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.695 ' O ' HD22 ' B' ' 94' ' ' LEU . 27.3 t -80.04 -44.84 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.846 HD12 ' HB2' ' B' ' 97' ' ' SER . 4.0 mm? -127.48 70.7 76.55 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.511 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -65.93 -19.12 58.36 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.412 2.075 . . . . 0.0 111.626 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 26.9 m -92.05 -40.53 11.03 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.846 ' HB2' HD12 ' B' ' 94' ' ' LEU . 4.5 t -57.45 -44.16 84.52 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.852 0.358 . . . . 0.0 110.804 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.425 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -52.43 -30.89 31.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.056 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -39.67 84.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.3 mt -70.79 -35.29 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.452 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 18.6 m-85 -76.44 -29.88 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.426 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 36.2 tt0 -58.46 -41.9 86.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.79 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -79.98 -24.32 40.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -50.01 61.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.429 ' CE1' ' HG2' ' B' ' 106' ' ' LYS . 0.6 OUTLIER -63.84 -33.84 76.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.817 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 0.6 OUTLIER -79.85 -30.27 40.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -57.8 -50.04 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.66 73.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.741 0.305 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -35.97 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.984 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mt -80.03 -41.46 25.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.036 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.779 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -53.84 -27.47 30.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.267 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -40.43 88.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.719 ' O ' HG22 ' A' ' 19' ' ' THR . 0.8 OUTLIER -80.11 -28.6 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.132 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.88 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.3 mt -71.7 -47.19 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 111.064 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.18 -38.09 39.38 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.988 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 16' ' ' LYS . 13.3 t -70.09 -32.14 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.699 0.285 . . . . 0.0 111.045 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 16' ' ' LYS . 21.2 t -80.29 -35.9 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 17' ' ' ILE . 11.4 t -57.15 -33.56 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.328 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -31.63 52.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.131 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.683 ' O ' HD12 ' A' ' 24' ' ' LEU . 31.9 t -80.13 -42.31 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.251 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.766 HD23 ' CB ' ' A' ' 27' ' ' SER . 7.9 mp -132.98 68.31 78.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.282 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.14 -18.62 65.92 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.514 2.143 . . . . 0.0 112.236 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -95.9 -39.14 9.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.097 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.766 ' CB ' HD23 ' A' ' 24' ' ' LEU . 1.4 t -59.5 -40.62 87.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.002 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -60.18 -40.73 90.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.661 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -56.79 -27.94 60.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.026 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 27' ' ' SER . 25.9 mt -73.28 -38.76 54.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.459 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 3.6 m-85 -73.01 -29.69 63.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.432 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 6.6 tt0 -57.77 -49.58 76.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.704 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.8 -27.39 63.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -49.97 69.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.947 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.672 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -68.23 -28.09 66.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 1.5 mmmp? -77.85 -46.59 21.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.746 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -64.68 -50.02 68.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.55 -26.11 66.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.227 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.852 0.358 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.64 -27.79 59.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -59.38 -41.9 90.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.588 ' O ' HG23 ' B' ' 90' ' ' VAL . 12.0 mttp -79.88 -33.95 39.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.629 ' O ' HG23 ' B' ' 91' ' ' VAL . 27.5 mt -70.5 -50.09 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.06 -19.7 57.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.617 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -32.85 39.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.678 0.275 . . . . 0.0 111.312 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 86' ' ' LYS . 11.9 t -80.08 -30.71 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.628 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.644 HG22 ' CD1' ' B' ' 98' ' ' LEU . 21.6 t -54.33 -33.57 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.216 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -55.96 -27.15 51.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.757 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.499 ' CG1' HD11 ' A' ' 24' ' ' LEU . 22.9 t -80.06 -33.44 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.704 ' HB2' HD22 ' A' ' 24' ' ' LEU . 3.3 mt -141.83 69.52 24.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.237 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.29 -17.88 62.18 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.372 2.048 . . . . 0.0 111.414 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -41.4 11.8 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.666 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.698 ' HB2' HD22 ' B' ' 94' ' ' LEU . 3.8 t -58.57 -49.94 75.6 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.917 0.389 . . . . 0.0 110.631 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.644 ' CD1' HG22 ' B' ' 91' ' ' VAL . 0.0 OUTLIER -55.19 -32.91 62.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.042 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -59.09 -42.27 90.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.932 0.396 . . . . 0.0 110.839 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.7 mt -68.22 -46.29 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.459 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 42.2 m-85 -64.97 -31.13 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.888 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.42 ' O ' ' CD1' ' B' ' 105' ' ' TYR . 0.6 OUTLIER -57.91 -39.37 77.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.714 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.05 -29.25 39.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.387 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.539 ' O ' HD23 ' B' ' 104' ' ' LEU . 2.7 tt -64.73 -49.19 71.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.789 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.42 ' CD1' ' O ' ' B' ' 102' ' ' GLU . 0.9 OUTLIER -73.79 -16.5 61.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.274 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -50.12 11.3 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.214 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' B' ' 104' ' ' LEU . 1.5 p90 -67.78 -30.76 70.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.26 86.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . 0.55 HD23 ' HG ' ' A' ' 39' ' ' LEU . 1.5 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.701 0.286 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -56.55 -41.92 77.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mt -80.08 -40.53 27.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 p -54.67 -24.64 22.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.42 -49.88 69.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -76.34 -29.79 57.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.833 ' O ' HG23 ' A' ' 21' ' ' VAL . 42.1 mt -76.58 -50.21 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.713 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.83 -21.02 54.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.218 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -47.26 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.603 HG11 ' CB ' ' B' ' 97' ' ' SER . 8.1 t -80.1 -35.61 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.193 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.983 HG11 HD12 ' A' ' 28' ' ' LEU . 87.2 t -56.01 -30.67 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.801 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -53.98 -30.85 48.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.421 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.637 HG12 ' CD2' ' A' ' 24' ' ' LEU . 83.3 t -73.88 -48.28 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.642 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.999 HD23 HD13 ' B' ' 94' ' ' LEU . 3.9 mm? -121.48 67.45 19.58 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.86 -18.94 65.95 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.41 2.073 . . . . 0.0 111.658 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -90.26 -40.85 11.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.8 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.794 ' HB3' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -61.49 -31.52 71.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.873 0.368 . . . . 0.0 110.546 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.983 HD12 HG11 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -56.71 -38.63 72.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -53.2 -39.14 63.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.502 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.523 HD12 ' H ' ' A' ' 30' ' ' ILE . 4.8 mp -72.72 -34.29 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.08 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -71.93 -44.37 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.437 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 8.7 pt-20 -56.76 -41.99 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.353 . . . . 0.0 110.731 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -29.35 60.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.557 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.523 ' O ' HD23 ' A' ' 34' ' ' LEU . 2.5 tt -63.06 -50.01 72.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.444 ' CZ ' ' HG2' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -69.43 -30.91 68.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -74.38 -32.54 62.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.776 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -68.98 -42.51 76.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.92 -28.5 55.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.346 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.656 HD11 ' HB1' ' B' ' 108' ' ' ALA . 1.8 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.468 HD22 HD11 ' B' ' 87' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.771 0.32 . . . . 0.0 110.76 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.8 -25.03 17.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -59.98 -43.11 95.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.747 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.622 ' O ' HG22 ' B' ' 89' ' ' THR . 0.1 OUTLIER -80.13 -33.99 38.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.781 ' O ' HG23 ' B' ' 91' ' ' VAL . 29.6 mt -73.47 -29.24 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.45 -35.95 91.98 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.999 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.622 HG22 ' O ' ' B' ' 86' ' ' LYS . 6.9 t -71.71 -35.79 70.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.692 0.246 . . . . 0.0 111.18 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 27' ' ' SER . 14.7 p -80.33 -42.26 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 0.0 111.185 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.781 HG23 ' O ' ' B' ' 87' ' ' ILE . 73.2 t -58.79 -29.8 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.727 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -51.15 -35.07 33.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.137 0.494 . . . . 0.0 110.276 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.547 HG12 HD21 ' A' ' 24' ' ' LEU . 49.1 t -80.18 -26.39 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.63 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.999 HD13 HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -134.18 63.29 60.89 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.056 -179.773 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' B' ' 94' ' ' LEU . 5.4 Cg_exo -78.57 -47.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.793 2.329 . . . . 0.0 112.012 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 47.1 t -62.1 -30.82 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.603 ' CB ' HG11 ' A' ' 20' ' ' VAL . 22.9 t -74.28 -33.37 63.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.108 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.674 HD12 HG11 ' B' ' 91' ' ' VAL . 0.4 OUTLIER -44.91 -39.38 5.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.474 -179.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -27.22 25.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.1 mt -78.17 -39.79 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -74.14 -31.75 62.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.446 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 23.2 tt0 -59.23 -47.29 85.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.709 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.87 -23.85 59.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.689 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 2.4 tt -68.54 -48.27 64.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.446 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.5 p90 -66.45 -34.95 79.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.859 0.362 . . . . 0.0 110.938 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.411 ' HD3' ' CE1' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -71.82 -30.12 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.787 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -60.84 -50.15 74.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.656 ' HB1' HD11 ' A' ' 39' ' ' LEU . . . -64.74 -45.1 87.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.221 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.827 0.346 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -75.28 -31.47 60.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.07 -32.93 65.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 p -59.26 -22.49 61.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -79.86 -50.12 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.138 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -65.87 -33.88 76.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.135 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.913 ' O ' HG23 ' A' ' 21' ' ' VAL . 48.5 mt -70.84 -49.49 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.811 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.57 -19.47 58.05 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.71 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -38.96 41.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.916 0.389 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.506 HG11 ' OG ' ' B' ' 97' ' ' SER . 21.4 t -80.12 -30.04 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.26 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 17' ' ' ILE . 49.9 t -59.0 -38.45 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.265 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -32.67 9.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.941 0.4 . . . . 0.0 111.06 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.673 ' O ' HD22 ' A' ' 24' ' ' LEU . 21.5 t -80.32 -41.04 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.467 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.805 HD12 ' OG ' ' A' ' 27' ' ' SER . 4.3 mm? -125.86 71.52 68.12 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 111.574 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.16 -17.55 54.87 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.331 2.021 . . . . 0.0 111.172 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -88.63 -40.92 12.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.606 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.805 ' OG ' HD12 ' A' ' 24' ' ' LEU . 11.1 m -59.57 -47.05 87.08 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.949 0.404 . . . . 0.0 110.46 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.752 HD12 HG11 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -42.17 -48.9 4.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.524 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.14 -35.09 72.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mm -72.73 -46.62 53.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.685 ' CZ ' HG22 ' B' ' 91' ' ' VAL . 23.0 m-85 -69.79 -40.91 75.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 1.3 tm-20 -58.86 -41.37 86.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.98 0.419 . . . . 0.0 110.645 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.07 -26.52 53.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.686 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.527 ' CD1' HD13 ' B' ' 87' ' ' ILE . 0.6 OUTLIER -65.5 -50.06 66.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.482 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.3 p90 -64.05 -29.91 71.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 2.8 mmtp -76.28 -36.77 58.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.767 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -59.71 -50.05 75.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.736 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -26.19 68.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.253 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 35' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.509 ' C ' HD12 ' B' ' 83' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 70.8 m -52.91 -24.92 10.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -44.33 89.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.043 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.758 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -66.42 -40.12 89.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.865 0.364 . . . . 0.0 110.819 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.759 ' O ' HG23 ' B' ' 91' ' ' VAL . 21.7 mt -74.93 -28.22 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.76 -26.32 74.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.656 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.758 HG22 ' O ' ' B' ' 86' ' ' LYS . 12.0 t -79.63 -34.87 40.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.686 0.279 . . . . 0.0 111.049 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.45 HG13 ' N ' ' B' ' 91' ' ' VAL . 12.5 p -80.41 -44.2 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.119 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 1.059 HG11 HD12 ' B' ' 98' ' ' LEU . 58.6 t -62.27 -33.71 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.52 -29.29 4.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.942 0.401 . . . . 0.0 110.574 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 85.9 t -80.05 -49.88 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.701 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.705 HD23 ' CB ' ' B' ' 97' ' ' SER . 1.1 mp -111.46 71.94 0.92 Allowed Pre-proline 0 N--CA 1.453 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.261 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.66 -24.21 22.05 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.486 2.124 . . . . 0.0 111.752 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.03 -33.86 22.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.744 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.705 ' CB ' HD23 ' B' ' 94' ' ' LEU . 21.2 t -65.37 -43.34 91.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.0 110.689 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 1.059 HD12 HG11 ' B' ' 91' ' ' VAL . 0.3 OUTLIER -53.07 -36.53 60.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.11 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.28 -31.81 63.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.445 ' CD1' HG21 ' A' ' 20' ' ' VAL . 26.5 mt -68.98 -39.33 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -72.7 -30.04 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -59.77 -36.2 76.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -50.19 59.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.594 HD12 ' N ' ' B' ' 105' ' ' TYR . 4.3 pp -69.83 -25.63 63.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.87 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.594 ' N ' HD12 ' B' ' 104' ' ' LEU . 0.8 OUTLIER -53.97 -50.03 67.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -78.37 -33.11 49.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -60.89 -49.99 75.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.0 -29.4 70.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.267 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.938 -179.9 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.792 0.329 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.69 -49.61 72.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 mt -80.07 -34.47 38.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.99 -29.24 42.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -37.74 85.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -79.89 -34.45 39.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.92 ' O ' HG23 ' A' ' 21' ' ' VAL . 37.3 mt -70.84 -50.0 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.6 -19.28 54.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.447 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -39.33 30.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 110.984 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 16' ' ' LYS . 11.5 t -80.0 -28.67 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.354 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.7 t -54.71 -30.69 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.155 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -57.99 -28.43 64.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.686 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.539 ' O ' HD12 ' A' ' 24' ' ' LEU . 35.0 t -80.0 -39.72 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.987 HD13 HD13 ' B' ' 94' ' ' LEU . 4.7 mp -131.77 69.58 81.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.278 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.43 -28.15 54.38 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.671 2.247 . . . . 0.0 111.841 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -84.12 -37.93 21.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.828 ' CB ' HD23 ' A' ' 24' ' ' LEU . 1.2 t -58.68 -43.3 89.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.794 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.476 HD12 ' CG1' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -46.46 -43.49 16.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.344 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.95 -29.92 31.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.02 -45.04 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -72.29 -35.57 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.786 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.43 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -60.87 -40.68 93.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.645 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -80.11 -24.56 40.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.645 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.23 -49.25 65.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.034 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.43 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -63.5 -38.24 90.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.826 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -32.07 73.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.771 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -70.65 -49.96 41.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.74 -29.29 62.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.212 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.8 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.895 179.874 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.795 0.331 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.53 ' HA ' HD12 ' B' ' 87' ' ' ILE . 3.2 m -52.37 -28.58 20.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.187 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -59.27 -43.96 92.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.668 ' O ' HG22 ' B' ' 89' ' ' THR . 1.4 mptt -80.07 -28.41 39.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.915 ' O ' HG23 ' B' ' 91' ' ' VAL . 26.5 mt -74.01 -43.77 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.41 -38.43 62.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.826 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.668 HG22 ' O ' ' B' ' 86' ' ' LYS . 10.3 t -68.64 -33.83 74.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.956 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 86' ' ' LYS . 22.1 t -80.23 -40.61 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.915 HG23 ' O ' ' B' ' 87' ' ' ILE . 25.1 t -57.59 -32.54 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -29.8 42.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.56 ' O ' HD12 ' B' ' 94' ' ' LEU . 47.0 t -78.35 -40.0 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.986 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.987 HD13 HD13 ' A' ' 24' ' ' LEU . 5.6 mp -130.43 70.7 82.4 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.193 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.25 -32.09 34.12 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.731 2.287 . . . . 0.0 111.77 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -80.38 -35.47 35.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.799 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.605 ' CB ' HD23 ' B' ' 94' ' ' LEU . 1.3 t -60.31 -47.03 87.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.822 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.74 HD12 ' O ' ' B' ' 98' ' ' LEU . 0.7 OUTLIER -58.15 -33.97 69.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.771 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -56.0 -32.9 64.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.506 HG21 HG12 ' A' ' 17' ' ' ILE . 17.9 mt -73.63 -40.29 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.427 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 97.7 m-85 -70.35 -28.25 64.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.436 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 3.2 mt-10 -60.07 -49.93 75.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.791 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.92 -30.51 62.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.873 HD22 ' O ' ' B' ' 104' ' ' LEU . 0.0 OUTLIER -62.84 -43.19 99.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.448 179.725 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.771 ' N ' HD13 ' B' ' 104' ' ' LEU . 0.5 OUTLIER -80.0 -17.88 51.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.047 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.41 -50.1 68.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.185 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' B' ' 104' ' ' LEU . 6.0 p90 -77.93 -28.8 49.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.741 0.305 . . . . 0.0 111.086 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.91 -29.28 59.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.219 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.749 0.309 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 t -59.69 -48.44 81.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.99 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.882 HD22 HD11 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -71.74 -44.72 63.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.445 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.6 m -57.22 -26.16 60.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.129 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -71.63 -41.83 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.03 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' O ' HG22 ' A' ' 19' ' ' THR . 7.7 ptpt -73.86 -26.65 60.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.109 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.882 HD11 HD22 ' A' ' 13' ' ' LEU . 22.2 mt -78.95 -30.91 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.7 -26.2 74.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.596 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 16' ' ' LYS . 6.2 t -79.68 -35.6 38.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.322 . . . . 0.0 111.016 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 21' ' ' VAL . 13.1 p -80.09 -43.6 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 17' ' ' ILE . 92.3 t -60.18 -29.93 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.0 ttp85 -55.28 -34.02 63.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.5 t -80.11 -50.04 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.317 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.897 HD12 ' CB ' ' A' ' 27' ' ' SER . 1.6 mm? -114.8 66.16 1.78 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.287 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.11 -13.13 33.42 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.453 2.102 . . . . 0.0 111.916 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.98 -40.07 10.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.897 ' CB ' HD12 ' A' ' 24' ' ' LEU . 7.8 t -66.62 -32.01 73.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.943 0.402 . . . . 0.0 110.561 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.47 HD22 ' CG1' ' A' ' 21' ' ' VAL . 0.3 OUTLIER -55.57 -43.35 75.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.765 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -52.41 -30.63 30.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.9 mm -66.59 -42.78 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.808 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -77.15 -31.28 55.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.795 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.438 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 37.7 tt0 -58.47 -50.09 74.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.593 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -71.09 -23.59 62.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.46 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 34' ' ' LEU . 1.6 tt -67.68 -50.07 59.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.973 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.438 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.5 p90 -66.24 -36.83 84.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.753 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -61.97 -46.47 89.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.025 0.441 . . . . 0.0 110.687 179.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.03 -42.72 99.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.802 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.95 -21.18 42.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.513 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.773 0.32 . . . . 0.0 111.003 179.885 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.801 ' HA ' HD12 ' B' ' 87' ' ' ILE . 51.6 m -51.96 -26.94 11.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.211 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -58.64 -44.84 90.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.815 ' O ' HG22 ' B' ' 89' ' ' THR . 28.8 mtmt -80.02 -28.25 39.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.995 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.872 ' O ' HG23 ' B' ' 91' ' ' VAL . 27.9 mt -69.23 -33.98 60.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.25 -35.81 86.16 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.642 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.815 HG22 ' O ' ' B' ' 86' ' ' LYS . 15.1 t -74.78 -30.52 61.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 110.967 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 86' ' ' LYS . 21.5 t -80.28 -46.05 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 87' ' ' ILE . 24.8 t -59.48 -34.42 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.147 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.49 -35.17 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 25.5 t -80.11 -46.33 22.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.157 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.914 HD12 ' CB ' ' B' ' 97' ' ' SER . 3.1 mm? -117.3 69.89 5.72 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.279 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.59 -5.07 16.1 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.423 2.082 . . . . 0.0 112.269 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -109.28 -36.98 5.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.167 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.914 ' CB ' HD12 ' B' ' 94' ' ' LEU . 9.7 t -64.32 -33.05 74.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.727 0.298 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.488 HD12 HG13 ' B' ' 91' ' ' VAL . 0.5 OUTLIER -53.12 -33.02 50.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.067 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -56.16 -40.02 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 40.0 mt -71.22 -36.53 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -75.71 -29.59 59.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.408 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 2.3 mt-10 -56.81 -45.8 82.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.747 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -76.22 -25.73 55.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.655 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.458 ' O ' HD23 ' B' ' 104' ' ' LEU . 1.4 tt -65.84 -49.93 66.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.44 ' CZ ' ' HG2' ' B' ' 106' ' ' LYS . 0.6 OUTLIER -69.51 -35.79 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.759 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.451 ' HA ' HD12 ' B' ' 109' ' ' LEU . 0.1 OUTLIER -72.6 -38.38 67.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.8 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -59.1 -45.5 90.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.26 -24.25 63.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.198 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 106' ' ' LYS . 28.7 mt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.019 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.868 0.366 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t -75.06 -43.04 55.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.7 mm? -62.9 -49.08 76.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 t -54.24 -25.48 23.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -79.06 -45.94 19.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.107 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.513 ' O ' HG22 ' A' ' 19' ' ' THR . 1.3 mppp? -75.62 -34.86 60.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.949 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.819 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.8 mt -80.04 -44.43 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.812 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.03 -25.53 64.4 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.745 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 16' ' ' LYS . 10.2 t -80.07 -38.27 32.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.692 0.282 . . . . 0.0 111.019 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.569 HG21 ' OG ' ' B' ' 97' ' ' SER . 13.0 p -80.2 -40.01 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.251 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 17' ' ' ILE . 99.4 t -54.94 -29.08 21.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.14 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -31.51 63.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.794 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.5 t -80.22 -50.18 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.182 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.797 HD23 ' CB ' ' A' ' 27' ' ' SER . 1.6 mp -114.82 72.47 2.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.265 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.641 ' HA ' HD23 ' A' ' 28' ' ' LEU . 73.0 Cg_endo -75.83 -20.08 15.59 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.578 2.185 . . . . 0.0 112.144 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.19 -37.34 12.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.797 ' CB ' HD23 ' A' ' 24' ' ' LEU . 3.8 t -60.52 -38.91 85.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.856 0.36 . . . . 0.0 110.685 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.641 HD23 ' HA ' ' A' ' 25' ' ' PRO . 3.7 pp -54.11 -29.0 43.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.018 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -57.13 -43.56 82.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.789 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.567 HD12 ' H ' ' A' ' 30' ' ' ILE . 4.0 mp -68.26 -31.32 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.792 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -78.83 -27.57 44.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.41 -50.11 74.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.816 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.24 -50.04 74.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.465 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.903 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -65.68 -37.93 87.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.875 179.279 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.77 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -62.11 -44.81 95.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.419 179.459 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -79.35 -29.94 42.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.88 -50.02 75.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.5 ' O ' HD21 ' B' ' 109' ' ' LEU . . . -62.54 -27.95 69.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.766 0.317 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 70.9 m -54.65 -29.46 52.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.16 -45.57 92.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.706 ' O ' HG22 ' B' ' 89' ' ' THR . 11.3 mttt -79.95 -37.7 33.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.885 ' O ' HG23 ' B' ' 91' ' ' VAL . 16.6 mt -66.21 -45.16 90.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.28 -49.27 25.68 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.049 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.706 HG22 ' O ' ' B' ' 86' ' ' LYS . 4.8 t -59.57 -33.6 71.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.326 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 86' ' ' LYS . 21.9 t -80.29 -42.04 21.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.224 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.885 HG23 ' O ' ' B' ' 87' ' ' ILE . 11.3 t -59.06 -36.62 63.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.244 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -28.85 9.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 32.0 t -80.13 -48.48 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.046 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.945 HD12 ' HB2' ' B' ' 97' ' ' SER . 3.5 mm? -117.78 69.2 6.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.97 -7.54 20.85 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.452 2.101 . . . . 0.0 112.162 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.6 p -104.25 -36.8 7.51 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.945 ' HB2' HD12 ' B' ' 94' ' ' LEU . 42.4 t -64.43 -38.44 91.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.884 0.373 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.851 HD12 HG13 ' B' ' 91' ' ' VAL . 1.2 tt -54.92 -30.9 59.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.268 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.67 -35.31 72.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.2 mt -66.4 -47.26 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.036 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -66.75 -26.98 67.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 10.1 tt0 -56.89 -46.69 81.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.397 . . . . 0.0 110.738 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -15.5 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.006 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.443 ' O ' HD23 ' B' ' 104' ' ' LEU . 2.2 tt -74.8 -50.01 18.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.092 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.5 OUTLIER -60.2 -39.87 88.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.925 0.393 . . . . 0.0 110.872 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -70.73 -30.7 67.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.7 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -71.27 -49.96 37.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.808 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.51 -37.34 78.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 38' ' ' ALA . 51.5 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.814 0.34 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 m -59.34 -32.67 70.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.981 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 mt -80.23 -30.29 38.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.2 m -62.32 -49.96 73.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.287 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -56.94 -31.96 65.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.223 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.513 ' O ' HG22 ' A' ' 19' ' ' THR . 8.4 ttmt -72.09 -35.62 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.945 0.403 . . . . 0.0 110.799 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.874 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.4 mt -77.0 -46.78 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.754 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.4 -40.63 86.35 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.631 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 16' ' ' LYS . 7.9 t -61.44 -39.23 90.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 110.814 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG11 ' OG ' ' B' ' 97' ' ' SER . 22.3 t -80.21 -35.03 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.061 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 17' ' ' ILE . 93.9 t -58.84 -35.84 58.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.06 -32.16 9.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.006 0.431 . . . . 0.0 110.76 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.603 ' O ' HD22 ' A' ' 24' ' ' LEU . 46.7 t -80.18 -41.43 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.801 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.859 HD12 ' HB2' ' A' ' 27' ' ' SER . 4.4 mm? -125.3 73.41 67.15 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.268 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.58 -11.01 30.15 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.524 2.15 . . . . 0.0 112.104 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -104.37 -35.64 7.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.064 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.859 ' HB2' HD12 ' A' ' 24' ' ' LEU . 3.1 t -63.02 -37.58 87.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.88 0.372 . . . . 0.0 110.743 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.655 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -58.84 -33.43 70.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.788 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -31.49 66.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.0 mt -78.85 -48.23 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.08 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' CE1' ' HG ' ' B' ' 98' ' ' LEU . 12.9 m-85 -65.0 -31.62 72.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.038 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 1.6 tt0 -60.1 -50.08 75.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.775 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.54 -20.51 62.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -50.14 29.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.7 p90 -64.86 -29.25 70.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 30.3 mttt -77.05 -30.73 55.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -69.59 -49.93 49.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.23 -22.69 63.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.428 HD11 ' HB1' ' B' ' 108' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.151 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.817 0.341 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 21.7 p -55.22 -26.96 42.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.036 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -58.63 -47.09 85.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.608 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -77.25 -37.19 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.664 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.872 ' O ' HG23 ' B' ' 91' ' ' VAL . 35.7 mt -65.51 -21.82 29.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.179 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.59 -29.3 73.83 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.862 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.608 HG22 ' O ' ' B' ' 86' ' ' LYS . 2.9 t -80.15 -36.03 35.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.598 0.237 . . . . 0.0 111.423 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' B' ' 87' ' ' ILE . 14.4 p -74.28 -41.37 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.405 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 87' ' ' ILE . 65.7 t -57.69 -30.25 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.764 0.316 . . . . 0.0 110.887 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -56.27 -27.61 55.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.657 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.485 HG12 HD21 ' A' ' 24' ' ' LEU . 38.4 t -80.07 -37.8 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.868 HD13 ' CB ' ' B' ' 97' ' ' SER . 3.0 mt -136.6 72.2 57.31 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.262 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.0 -6.04 17.93 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.361 2.041 . . . . 0.0 111.857 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 95.6 p -106.44 -33.67 7.65 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.266 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.868 ' CB ' HD13 ' B' ' 94' ' ' LEU . 40.6 t -67.55 -40.57 84.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.784 0.326 . . . . 0.0 110.811 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.417 HD22 ' HG3' ' B' ' 102' ' ' GLU . 0.2 OUTLIER -53.03 -32.26 45.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -32.89 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' B' ' 97' ' ' SER . 4.3 mt -73.83 -35.44 43.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.945 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -76.62 -34.21 58.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.45 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 2.7 mt-10 -59.43 -50.2 74.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.607 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -70.3 -27.26 64.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.486 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.553 ' O ' HD23 ' B' ' 104' ' ' LEU . 4.1 tt -63.73 -49.89 71.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.806 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.1 p90 -68.86 -22.01 64.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -67.1 -50.18 62.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.407 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -72.8 -29.49 63.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.107 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' A' ' 39' ' ' LEU . . . -57.15 -27.35 61.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.183 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.819 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.702 0.287 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 t -66.94 -47.47 71.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.993 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 mt -78.79 -28.79 44.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.043 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.73 -31.74 64.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.052 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -42.83 71.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.765 ' O ' HG22 ' A' ' 19' ' ' THR . 14.3 mttt -65.7 -37.04 85.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.795 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.0 mt -72.46 -28.41 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.065 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.81 -29.54 73.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.54 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 16' ' ' LYS . 13.8 t -78.5 -31.13 47.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.899 0.381 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 16' ' ' LYS . 12.0 t -80.25 -49.63 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 17' ' ' ILE . 44.7 t -57.68 -32.77 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -27.99 45.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.648 ' O ' HD12 ' A' ' 24' ' ' LEU . 27.8 t -79.96 -39.54 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.255 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.812 HD13 HD13 ' B' ' 94' ' ' LEU . 5.6 mp -134.18 65.07 68.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.277 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -58.34 -25.65 73.83 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.323 2.015 . . . . 0.0 111.37 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.64 -38.53 33.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.577 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.691 ' HB2' HD23 ' A' ' 24' ' ' LEU . 4.1 t -67.01 -33.58 75.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.921 0.391 . . . . 0.0 110.511 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.745 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -54.39 -33.5 59.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.836 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.46 -32.66 67.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' B' ' 90' ' ' VAL . 35.5 mt -67.22 -50.07 66.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.967 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.493 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 49.6 m-85 -68.04 -31.06 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.685 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 40.7 tt0 -57.71 -39.65 77.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.665 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.407 ' HA ' ' HG2' ' A' ' 36' ' ' LYS . 1.2 mt-10 -80.12 -20.16 45.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.624 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.06 -50.09 10.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.504 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.435 ' CD1' ' HA ' ' A' ' 32' ' ' GLU . 1.6 p90 -68.97 -38.62 79.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.374 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -69.68 -41.48 75.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.058 -179.756 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -53.48 -50.11 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.47 -29.77 66.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.699 HD21 ' HB1' ' B' ' 108' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.609 HD23 ' HD2' ' B' ' 86' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.864 0.364 . . . . 0.0 110.957 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 66.4 m -51.06 -29.43 12.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -44.2 89.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.609 ' HD2' HD23 ' B' ' 83' ' ' LEU . 15.5 ptpt -79.97 -32.93 39.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.911 ' O ' HG23 ' B' ' 91' ' ' VAL . 18.9 mt -71.82 -50.13 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.918 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.52 -26.34 64.36 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.374 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -42.4 72.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 86' ' ' LYS . 11.2 t -78.64 -34.51 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.976 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.911 HG23 ' O ' ' B' ' 87' ' ' ILE . 86.7 t -55.39 -26.8 19.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.694 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -55.72 -35.97 66.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.461 ' O ' HD12 ' B' ' 94' ' ' LEU . 66.1 t -79.99 -30.65 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.781 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' B' ' 97' ' ' SER . 1.1 mp -136.63 67.0 58.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.048 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.97 -35.77 11.45 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.755 2.304 . . . . 0.0 112.127 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -75.58 -32.74 60.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.981 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.835 ' CB ' HD23 ' B' ' 94' ' ' LEU . 16.9 t -70.71 -31.57 68.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.994 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.792 HD12 ' O ' ' B' ' 98' ' ' LEU . 0.6 OUTLIER -57.83 -34.2 69.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.555 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.81 -27.68 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.596 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 24.3 mm -66.58 -50.11 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.493 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 90.3 m-85 -68.51 -37.99 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -62.57 -29.25 70.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.46 -50.07 15.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.816 HD12 ' N ' ' B' ' 105' ' ' TYR . 4.1 pp -64.88 -36.83 85.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.816 ' N ' HD12 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -59.33 -38.3 79.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.1 -33.98 38.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -64.7 -44.24 90.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.014 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.699 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -61.54 -25.61 67.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.464 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 48.2 mt . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 120.772 0.32 . . . . 0.0 111.005 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.855 0.359 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -42.07 98.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.8 mt -80.09 -29.97 39.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.053 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -29.29 58.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.206 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -35.24 80.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' O ' HG22 ' A' ' 19' ' ' THR . 0.1 OUTLIER -79.36 -28.09 41.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.855 ' O ' HG23 ' A' ' 21' ' ' VAL . 34.4 mt -79.97 -49.5 19.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.69 -25.55 51.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.854 -0.689 . . . . 0.0 113.087 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 16' ' ' LYS . 8.2 t -79.6 -39.86 30.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.72 0.295 . . . . 0.0 111.133 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.578 HG21 ' OG ' ' B' ' 97' ' ' SER . 11.6 p -80.08 -38.68 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.283 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 17' ' ' ILE . 59.4 t -56.29 -31.11 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -30.94 48.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.8 t -79.81 -49.65 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.864 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.975 HD13 HD13 ' B' ' 94' ' ' LEU . 4.4 mp -117.07 72.92 6.43 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.021 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.13 -28.77 23.08 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.49 2.127 . . . . 0.0 111.958 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.7 t -83.74 -34.46 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.683 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.69 ' CB ' HD23 ' A' ' 24' ' ' LEU . 1.4 t -60.33 -47.33 86.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.728 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.51 HD12 ' CG1' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -45.95 -31.47 2.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.35 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -56.81 -30.88 64.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mt -80.03 -42.21 21.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.02 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -69.39 -39.38 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 1.3 tt0 -60.02 -42.38 94.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.11 -22.61 52.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.71 -49.99 41.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.972 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.457 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.7 p90 -62.94 -38.56 91.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.788 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -31.5 59.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -69.29 -43.8 73.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.87 -13.37 62.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.518 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.701 0.286 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 74.7 m -49.36 -27.5 4.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.256 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -49.98 75.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.556 ' O ' HG22 ' B' ' 89' ' ' THR . 0.3 OUTLIER -80.08 -25.24 40.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.823 ' O ' HG23 ' B' ' 91' ' ' VAL . 34.2 mt -79.1 -38.48 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.17 -25.46 68.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.711 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.556 HG22 ' O ' ' B' ' 86' ' ' LYS . 6.9 t -79.98 -37.41 34.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.73 0.3 . . . . 0.0 111.041 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.489 HG21 ' OG ' ' A' ' 27' ' ' SER . 12.6 p -80.18 -40.98 20.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.272 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.823 HG23 ' O ' ' B' ' 87' ' ' ILE . 89.8 t -56.68 -30.18 31.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -53.86 -31.53 49.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.58 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 55.7 t -80.2 -49.8 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.9 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.975 HD13 HD13 ' A' ' 24' ' ' LEU . 3.3 mp -116.13 69.1 3.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.27 -25.83 18.23 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.461 2.107 . . . . 0.0 112.004 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.2 p -84.62 -31.94 23.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.578 ' OG ' HG21 ' A' ' 20' ' ' VAL . 13.2 t -66.37 -43.25 86.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.783 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.486 HD12 ' CG1' ' B' ' 91' ' ' VAL . 0.5 OUTLIER -47.5 -32.9 5.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.326 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.47 -42.9 83.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.945 0.402 . . . . 0.0 111.01 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' B' ' 97' ' ' SER . 4.4 mt -62.53 -37.62 79.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.004 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -78.85 -31.68 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.423 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 6.5 tt0 -60.47 -48.78 80.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.78 -23.52 60.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.453 ' O ' HD23 ' B' ' 104' ' ' LEU . 3.6 tt -69.84 -47.33 63.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' B' ' 106' ' ' LYS . 1.4 p90 -69.01 -46.57 67.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.879 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.453 ' N ' ' CD1' ' B' ' 105' ' ' TYR . 4.7 tttp -60.26 -35.48 75.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.793 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -66.79 -50.13 63.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.57 -25.68 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.235 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 77.5 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.0 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.808 0.337 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -50.1 69.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mt -80.18 -41.34 25.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.026 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.2 p -55.05 -27.79 47.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.319 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -42.98 56.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.028 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 19' ' ' THR . 9.0 mtpp -68.8 -30.91 69.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.022 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.914 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.1 mt -78.72 -49.7 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.72 -29.56 58.4 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.94 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 16' ' ' LYS . 6.9 t -73.55 -38.64 65.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 111.13 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 17' ' ' ILE . 12.3 p -79.86 -32.56 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.05 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.064 HG11 HD12 ' A' ' 28' ' ' LEU . 60.5 t -62.06 -31.5 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.639 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -28.44 35.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.459 ' O ' HD22 ' A' ' 24' ' ' LEU . 46.0 t -79.82 -47.03 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.962 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.89 HD12 ' HB2' ' A' ' 27' ' ' SER . 2.8 mm? -121.36 67.85 19.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.19 -22.33 72.67 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.39 2.06 . . . . 0.0 111.398 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.6 t -83.96 -40.73 18.13 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.592 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.89 ' HB2' HD12 ' A' ' 24' ' ' LEU . 5.9 t -60.5 -40.75 92.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.878 0.371 . . . . 0.0 110.544 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.064 HD12 HG11 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -46.19 -36.91 6.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.348 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.02 -50.0 70.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 27' ' ' SER . 2.6 mt -59.07 -50.11 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -60.8 -32.86 72.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -57.21 -50.11 73.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.93 -33.16 65.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.856 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -67.81 -40.74 83.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.368 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.554 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.36 -42.01 72.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.412 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -75.64 -26.31 57.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -58.67 -49.77 76.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.4 42.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.362 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.68 HD11 ' HB1' ' B' ' 108' ' ' ALA . 13.1 mt . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.04 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.552 ' C ' HD12 ' B' ' 83' ' ' LEU . 1.2 pp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.885 0.374 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -25.9 43.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.765 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -58.02 -43.71 86.9 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.822 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.796 ' O ' HG22 ' B' ' 89' ' ' THR . 0.1 OUTLIER -65.1 -35.69 81.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.703 179.792 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.9 ' O ' HG23 ' B' ' 91' ' ' VAL . 38.5 mt -69.65 -33.17 55.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.775 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.77 -42.58 99.52 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.796 HG22 ' O ' ' B' ' 86' ' ' LYS . 14.0 t -64.07 -31.66 72.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.77 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 23.6 t -80.19 -46.6 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.042 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 87' ' ' ILE . 42.5 t -56.46 -29.5 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -55.78 -31.41 62.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.749 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.446 ' O ' HD12 ' B' ' 94' ' ' LEU . 43.1 t -79.96 -35.42 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.024 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.941 HD23 ' CB ' ' B' ' 97' ' ' SER . 1.0 OUTLIER -136.53 65.07 54.22 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.198 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' B' ' 94' ' ' LEU . 16.0 Cg_exo -67.47 -28.35 38.74 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.573 2.182 . . . . 0.0 111.747 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 9.8 p -78.69 -38.48 39.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.941 ' CB ' HD23 ' B' ' 94' ' ' LEU . 39.9 t -66.21 -31.08 71.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.749 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.779 HD12 ' O ' ' B' ' 98' ' ' LEU . 0.7 OUTLIER -58.97 -31.63 68.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.03 -30.68 70.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.78 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.444 HD12 HG11 ' A' ' 20' ' ' VAL . 46.5 mt -69.23 -47.49 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -66.95 -27.34 67.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.453 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 43.3 tt0 -56.62 -49.84 73.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.726 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -72.03 -21.82 61.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.783 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.414 ' O ' HD23 ' B' ' 104' ' ' LEU . 2.3 tt -71.12 -50.03 37.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.453 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.7 p90 -64.22 -37.12 86.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.777 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -62.21 -31.99 72.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -59.97 -48.42 81.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.68 ' HB1' HD11 ' A' ' 39' ' ' LEU . . . -71.87 -29.06 63.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.932 179.9 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.793 0.33 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t -58.76 -41.7 87.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.431 HD22 HD11 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -76.24 -36.51 58.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.2 t -57.17 -32.82 66.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -35.77 80.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.699 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -80.1 -32.28 39.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.019 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 21' ' ' VAL . 44.7 mt -76.0 -49.17 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.052 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.48 -28.95 52.48 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.695 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 16' ' ' LYS . 8.9 t -79.98 -33.18 39.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 16' ' ' LYS . 53.3 t -80.03 -36.76 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.002 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 17' ' ' ILE . 47.3 t -54.5 -34.96 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -29.89 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.61 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.625 ' CG1' HD11 ' B' ' 94' ' ' LEU . 25.3 t -80.15 -31.3 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.251 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.745 HD22 ' HB2' ' A' ' 27' ' ' SER . 4.2 mt -147.58 69.41 11.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 111.657 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -61.86 -19.24 64.96 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.311 2.007 . . . . 0.0 111.085 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -89.98 -43.63 10.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.027 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.745 ' HB2' HD22 ' A' ' 24' ' ' LEU . 5.4 t -55.35 -42.44 73.85 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-O 120.864 0.364 . . . . 0.0 110.592 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -59.71 -31.69 69.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.679 179.735 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.39 -47.41 79.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 27' ' ' SER . 3.0 mt -57.17 -48.68 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' B' ' 98' ' ' LEU . 38.5 m-85 -62.68 -28.03 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -58.74 -44.55 90.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -80.18 -24.21 40.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.032 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.758 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -80.09 -50.14 10.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.156 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.744 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -58.53 -35.07 71.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.753 0.311 . . . . 0.0 110.711 -179.834 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.636 ' HA ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -80.06 -29.98 39.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -69.26 -50.09 50.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.16 -25.3 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.377 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.661 HD23 ' HG ' ' B' ' 109' ' ' LEU . 10.2 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.869 0.366 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 28.3 p -53.97 -27.66 32.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -58.56 -43.72 89.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.791 ' O ' HG23 ' B' ' 90' ' ' VAL . 0.0 OUTLIER -79.13 -34.45 43.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.805 179.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.939 ' O ' HG23 ' B' ' 91' ' ' VAL . 54.8 mt -66.34 -50.27 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.803 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.68 -26.35 57.22 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.263 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.89 -35.59 37.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.961 0.41 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.791 HG23 ' O ' ' B' ' 86' ' ' LYS . 21.5 t -80.16 -29.31 12.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.381 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.939 HG23 ' O ' ' B' ' 87' ' ' ILE . 59.9 t -55.07 -31.22 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.155 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -54.54 -36.66 64.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.759 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 40.9 t -80.03 -46.28 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.984 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.725 HD23 ' CB ' ' B' ' 97' ' ' SER . 5.9 mp -125.58 74.13 69.21 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' PRO . . . . . 0.447 ' HA ' HG13 ' B' ' 91' ' ' VAL . 59.1 Cg_endo -72.24 -29.19 14.51 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.538 2.159 . . . . 0.0 111.952 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.7 m -84.22 -34.33 23.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.773 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' SER . . . . . 0.725 ' CB ' HD23 ' B' ' 94' ' ' LEU . 1.7 t -60.19 -43.43 95.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.798 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -59.47 -28.98 67.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.681 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.48 -47.86 82.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.025 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' B' ' 97' ' ' SER . 2.1 mp -58.71 -50.03 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.236 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 33.1 m-85 -59.8 -32.89 71.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 87.3 mt-10 -63.91 -39.62 94.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.687 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.13 -24.41 40.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.26 -50.05 62.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.446 ' CZ ' ' HG3' ' B' ' 106' ' ' LYS . 0.8 OUTLIER -62.97 -34.66 77.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.743 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.446 ' HG3' ' CZ ' ' B' ' 105' ' ' TYR . 7.3 mtpm? -76.78 -32.64 57.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.628 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -73.66 -47.28 41.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.634 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.99 -13.11 61.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.429 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . 0.661 ' HG ' HD23 ' A' ' 39' ' ' LEU . 3.1 mt . . . . . 0 C--N 1.332 -0.187 0 CA-C-O 120.766 0.317 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.99 85.57 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.5 mmt -134.15 141.89 47.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -53.27 7.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.89 80.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.492 ' HG2' HD13 ' A' ' 6' ' ' LEU . 11.1 mttt -134.92 146.02 48.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.637 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.4 pt? -177.63 -40.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.763 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.486 ' CE1' ' CE2' ' A' ' 35' ' ' TYR . 19.1 t80 -60.17 -36.27 77.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.734 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.516 HD12 ' H ' ' A' ' 6' ' ' LEU . 5.6 mp -71.03 -21.16 62.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.83 29.33 2.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.806 0.336 . . . . 0.0 110.992 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -132.23 30.37 4.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.51 HD13 ' HB3' ' A' ' 13' ' ' LEU . 1.1 pp -167.51 163.0 9.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.794 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -48.7 154.89 2.69 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.676 2.25 . . . . 0.0 112.514 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -31.31 72.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.9 m -58.77 -40.32 83.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.643 HD22 HD11 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -80.0 -45.0 19.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.7 p -58.39 -25.54 62.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.099 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -50.05 16.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.018 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' O ' HG22 ' A' ' 19' ' ' THR . 0.0 OUTLIER -67.79 -29.06 68.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.078 -179.773 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.81 ' O ' HG23 ' A' ' 21' ' ' VAL . 17.5 mt -80.02 -48.91 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.065 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.15 -26.57 58.84 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.93 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 16' ' ' LYS . 9.9 t -78.59 -39.35 37.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.837 0.351 . . . . 0.0 111.177 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.479 HG21 ' OG ' ' B' ' 97' ' ' SER . 11.5 p -80.13 -36.75 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 17' ' ' ILE . 93.4 t -57.4 -35.57 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.89 -32.95 15.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.554 ' O ' HD22 ' A' ' 24' ' ' LEU . 42.7 t -80.19 -44.11 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.104 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.855 HD12 ' HB2' ' A' ' 27' ' ' SER . 3.6 mm? -123.11 74.96 50.02 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.32 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.86 -10.39 28.36 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.524 2.149 . . . . 0.0 111.893 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -102.27 -32.25 10.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.855 ' HB2' HD12 ' A' ' 24' ' ' LEU . 5.4 t -67.25 -48.95 66.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.828 0.347 . . . . 0.0 110.715 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.928 HD13 ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -57.96 -19.66 32.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.241 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.928 ' N ' HD13 ' A' ' 28' ' ' LEU . 4.3 tm-20 -69.38 -41.68 76.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 110.668 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.481 HG21 HG12 ' B' ' 87' ' ' ILE . 10.8 mt -66.53 -47.49 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.49 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 20.3 m-85 -62.9 -29.94 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 15.8 tt0 -58.78 -39.7 81.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.604 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.1 -24.9 40.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.753 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.28 -50.02 61.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.042 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.486 ' CE2' ' CE1' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -63.42 -33.34 75.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.849 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.428 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 12.3 mttm -70.15 -32.09 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.774 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -60.07 -49.52 77.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.79 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.08 -29.12 66.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.97 -49.71 76.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -70.56 -28.76 65.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -57.09 -27.3 61.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.526 ' ND2' HD23 ' B' ' 109' ' ' LEU . 0.5 OUTLIER -57.87 -31.41 66.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.861 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.1 p -134.31 123.45 24.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -133.18 113.81 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -60.91 -179.0 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.34 113.6 27.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.1 m -114.51 -62.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.0 75.31 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.8 m170 62.07 122.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.004 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -93.05 118.73 31.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.77 137.56 41.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.973 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.3 OUTLIER 177.35 -58.11 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.004 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.475 ' HD3' ' HB3' ' A' ' 52' ' ' LYS . 40.1 Cg_endo -66.65 104.36 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.25 1.967 . . . . 0.0 112.312 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.93 148.56 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mp -129.78 139.94 50.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -64.07 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.5 144.94 25.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.29 171.43 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -148.13 -47.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -152.87 -174.72 5.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.477 ' H ' HD23 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -97.09 39.13 1.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mp 60.19 -175.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.14 115.26 5.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -159.49 94.23 1.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -102.86 -54.63 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -134.22 -176.77 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.703 HD13 ' H ' ' A' ' 67' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.251 -0.88 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.093 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 5.8 m170 61.67 114.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.793 0.33 . . . . 0.0 111.031 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 26.2 mtt -88.42 152.63 21.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 11.4 mtt -82.46 89.35 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.3 m 60.84 156.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -148.3 157.46 43.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.91 149.78 48.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.4 ' C ' HD23 ' B' ' 79' ' ' LEU . 29.1 t80 56.67 28.03 13.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.988 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.81 -45.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.86 -36.63 49.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.48 -66.15 0.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.57 HD12 ' N ' ' B' ' 80' ' ' PRO . 1.7 pp -51.42 171.49 0.18 Allowed Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.713 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.57 ' N ' HD12 ' B' ' 79' ' ' LEU . 81.7 Cg_exo -46.26 93.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.352 2.034 . . . . 0.0 112.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -54.09 -25.45 21.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.316 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -44.51 80.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 13.3 mt -80.03 -41.62 25.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.686 ' HA ' HD12 ' B' ' 87' ' ' ILE . 3.8 m -49.94 -28.14 6.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.317 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -59.14 -44.5 92.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.708 ' O ' HG22 ' B' ' 89' ' ' THR . 0.8 OUTLIER -80.05 -29.9 39.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.018 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.925 ' O ' HG23 ' B' ' 91' ' ' VAL . 64.7 mt -63.21 -50.15 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.863 0.363 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -49.3 -48.3 33.5 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.957 -0.639 . . . . 0.0 113.08 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.708 HG22 ' O ' ' B' ' 86' ' ' LYS . 14.2 t -62.24 -32.47 73.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.687 0.28 . . . . 0.0 111.081 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.652 HG23 ' O ' ' B' ' 86' ' ' LYS . 25.6 t -80.39 -40.09 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 87' ' ' ILE . 21.4 t -52.73 -31.9 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.389 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.63 -35.69 68.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.026 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.16 -46.46 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.449 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' B' ' 97' ' ' SER . 4.2 mm? -115.67 75.65 5.27 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.529 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.73 -19.68 20.92 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.483 2.122 . . . . 0.0 111.842 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 75.1 p -93.95 -37.4 11.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.958 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.843 ' HB2' HD12 ' B' ' 94' ' ' LEU . 2.7 t -56.92 -50.01 73.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.657 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.436 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -51.82 -33.8 37.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -31.47 69.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 42.7 mt -72.68 -50.13 36.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.49 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 47.9 m-85 -62.43 -30.11 71.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.441 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 6.9 tt0 -60.63 -42.29 96.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.541 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.05 -23.27 52.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.622 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.53 -50.14 47.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.5 p90 -62.59 -35.17 78.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.759 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.48 ' HA ' HD12 ' B' ' 109' ' ' LEU . 0.2 OUTLIER -72.7 -31.85 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.762 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -66.85 -50.12 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.809 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.05 -31.04 68.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.526 HD23 ' ND2' ' A' ' 42' ' ' ASN . 1.4 mt -60.19 -49.96 75.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -65.18 -24.0 67.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.966 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -62.77 -16.73 59.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.31 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -47.64 -28.74 2.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 3.1 m -92.13 161.7 14.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.811 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -133.97 170.72 15.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -90.77 61.72 4.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -167.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.025 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 10.5 t 61.98 114.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -112.58 -54.09 2.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -98.48 28.99 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 63.63 16.11 9.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.326 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.3 131.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.871 0.367 . . . . 0.0 111.064 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . 0.421 ' CB ' ' CD ' ' B' ' 123' ' ' PRO . 0.1 OUTLIER -177.81 -61.84 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.807 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' B' ' 122' ' ' LYS . 73.1 Cg_endo -75.81 149.16 33.14 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.586 2.191 . . . . 0.0 112.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.23 80.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.847 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.65 141.33 45.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.07 -48.93 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.33 30.58 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.86 97.68 5.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 24.6 m -116.61 102.1 9.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.56 127.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 mp -142.42 31.4 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.92 166.56 16.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.03 -53.74 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 5.5 t -60.78 -45.31 94.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.12 133.16 53.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -156.27 -68.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.785 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 25.9 mt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.12 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -127.47 155.22 44.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.8 mmm -151.9 31.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttt -142.75 93.14 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 p -132.3 37.16 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.1 mttt 60.88 157.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 mt -146.04 32.1 1.02 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.448 ' HB3' HD12 ' A' ' 6' ' ' LEU . 33.6 t80 -114.03 -37.76 4.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.674 HD21 ' HA2' ' A' ' 18' ' ' GLY . 5.7 mp -99.04 28.1 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -124.38 -42.52 2.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.796 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.03 -56.84 10.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 10' ' ' PRO . 3.7 pp -60.52 160.49 18.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.632 ' O ' HD12 ' A' ' 9' ' ' LEU . 76.4 Cg_exo -50.39 157.18 3.4 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.524 2.149 . . . . 0.0 112.349 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.58 -33.87 64.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 m -59.95 -50.0 75.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.09 -30.88 67.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.35 -25.61 49.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -43.24 66.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' O ' HG22 ' A' ' 19' ' ' THR . 0.1 OUTLIER -76.67 -33.28 58.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.983 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.728 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.8 mt -77.29 -33.26 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.979 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.674 ' HA2' HD21 ' A' ' 6' ' ' LEU . . . -68.77 -31.66 73.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.823 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 16' ' ' LYS . 5.8 t -70.97 -38.09 72.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.733 0.301 . . . . 0.0 111.012 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 21' ' ' VAL . 12.4 p -80.36 -44.97 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.238 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.815 HG13 HD22 ' A' ' 28' ' ' LEU . 97.2 t -59.94 -34.82 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.212 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -51.99 -29.29 20.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.811 0.338 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.433 ' O ' HD22 ' A' ' 24' ' ' LEU . 30.1 t -80.04 -42.51 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.065 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.88 HD12 ' HB2' ' A' ' 27' ' ' SER . 4.0 mm? -119.47 75.7 17.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.459 ' HA ' ' CD2' ' A' ' 28' ' ' LEU . 60.1 Cg_endo -72.19 -7.11 20.39 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.556 2.171 . . . . 0.0 112.085 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.65 -27.46 9.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.071 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.88 ' HB2' HD12 ' A' ' 24' ' ' LEU . 3.8 t -70.62 -49.51 46.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.633 0.254 . . . . 0.0 111.138 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.815 HD22 HG13 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -46.1 -29.52 1.55 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 -179.693 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -59.06 -47.71 84.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 27' ' ' SER . 3.2 mt -59.81 -35.34 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.772 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -72.28 -31.87 66.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.03 -31.8 70.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.517 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.68 -50.15 53.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.527 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 35' ' ' TYR . 4.1 pp -72.74 -26.76 61.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.503 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.66 ' N ' HD12 ' A' ' 34' ' ' LEU . 1.3 t80 -70.48 -46.56 63.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.463 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -80.08 -36.67 35.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -59.87 -50.13 74.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.6 -28.98 66.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.228 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 22.5 mt -77.4 -32.16 54.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -65.1 -30.92 71.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -58.92 -26.96 64.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -56.87 -30.97 64.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 t -121.38 142.48 49.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -138.67 31.87 2.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -91.75 136.82 32.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -89.32 -38.54 14.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 p -111.91 93.25 4.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -124.37 -44.42 2.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -149.11 103.66 3.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -146.09 108.2 4.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.817 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -141.44 28.69 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.65 154.69 21.47 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.797 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.99 135.97 31.25 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.599 2.199 . . . . 0.0 112.342 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -128.18 104.52 7.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.06 120.13 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -112.97 -56.79 2.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.8 t0 63.86 136.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.12 -55.78 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.989 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 m -155.42 -49.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -156.06 -46.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.2 tp -176.73 38.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -121.95 167.93 12.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.999 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' O ' HD23 ' A' ' 62' ' ' LEU . 12.2 mtpp -121.09 161.84 21.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -154.47 -46.24 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -82.89 167.95 17.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.5 -178.28 3.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.7 mt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.102 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -90.43 98.07 11.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 2.3 mtt 60.87 92.26 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.44 117.82 33.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -100.18 110.25 22.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.79 117.37 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 23.9 mt -138.77 35.55 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.649 ' CE2' HD12 ' B' ' 76' ' ' LEU . 28.0 p90 -140.93 -48.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.649 HD12 ' CE2' ' B' ' 75' ' ' PHE . 0.4 OUTLIER -72.04 -16.11 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.246 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.09 28.73 3.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.091 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -142.04 -49.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.492 HD12 ' O ' ' B' ' 79' ' ' LEU . 0.3 OUTLIER -51.71 164.33 0.54 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.544 179.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.486 ' HB2' HD12 ' B' ' 83' ' ' LEU . 93.3 Cg_exo -42.43 94.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.458 2.105 . . . . 0.0 112.418 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -46.71 -29.57 1.96 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.359 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 5.0 t -61.89 -45.26 94.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.65 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.486 HD12 ' HB2' ' B' ' 80' ' ' PRO . 11.4 mt -79.94 -33.03 40.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.815 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.6 ' HA ' HD12 ' B' ' 87' ' ' ILE . 35.2 t -47.7 -29.02 2.72 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.282 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -57.3 -43.8 83.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.443 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -80.18 -15.52 56.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.311 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.873 ' O ' HG23 ' B' ' 91' ' ' VAL . 31.7 mt -79.81 -49.95 18.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.88 0.371 . . . . 0.0 111.352 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.08 -25.32 38.5 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.958 -0.639 . . . . 0.0 113.018 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.443 HG22 ' O ' ' B' ' 86' ' ' LYS . 5.8 t -80.09 -39.8 28.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.705 0.288 . . . . 0.0 111.309 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.507 HG21 ' OG ' ' A' ' 27' ' ' SER . 13.8 p -80.17 -38.37 18.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.383 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.873 HG23 ' O ' ' B' ' 87' ' ' ILE . 47.6 t -55.95 -29.67 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.153 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -34.86 62.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.675 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 45.9 t -80.03 -45.0 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.909 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.812 HD23 ' CB ' ' B' ' 97' ' ' SER . 3.0 mp -116.34 70.43 4.3 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.01 -3.54 13.98 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.597 2.198 . . . . 0.0 112.479 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.15 -33.9 6.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 0.0 111.024 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.812 ' CB ' HD23 ' B' ' 94' ' ' LEU . 8.6 t -68.94 -37.96 79.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.947 HD13 ' N ' ' B' ' 99' ' ' GLU . 0.0 OUTLIER -59.03 -19.24 41.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.947 ' N ' HD13 ' B' ' 98' ' ' LEU . 0.7 OUTLIER -71.71 -31.13 66.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.831 0.348 . . . . 0.0 110.847 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 44.8 mt -70.99 -37.03 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.993 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -73.74 -31.47 63.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 0.6 OUTLIER -60.3 -49.95 75.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.639 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -70.56 -25.79 63.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.514 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -50.06 65.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.2 p90 -65.72 -29.68 70.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.723 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.705 ' HA ' HD12 ' B' ' 109' ' ' LEU . 0.1 OUTLIER -78.3 -33.4 49.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -64.39 -50.18 68.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.776 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.53 -23.36 62.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.319 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' B' ' 106' ' ' LYS . 17.5 mt -72.78 -28.89 62.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.106 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -72.1 -45.2 61.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.02 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.67 -31.43 71.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -73.0 -31.41 64.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 74.4 m -97.61 131.33 44.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.99 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 62.91 120.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -118.69 -44.91 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 37.4 mtm-85 -138.32 -175.08 3.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.18 137.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -171.87 50.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -106.22 169.5 8.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -130.21 93.44 3.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 27.8 mttt 60.47 172.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -110.87 95.77 25.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -52.07 -176.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.468 2.112 . . . . 0.0 112.244 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.74 160.02 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -168.28 136.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -95.56 -179.71 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.48 -178.96 6.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.07 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 5.0 t -96.79 -59.5 1.79 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 1.2 m -113.83 109.9 19.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -153.11 -174.76 5.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.3 mt 60.29 36.12 20.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.3 mt -117.69 -54.29 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -118.54 -178.41 3.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 4.0 p -148.65 110.53 4.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.53 -34.13 65.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.77 -76.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 18.7 pt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.157 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -92.42 78.82 4.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -134.66 67.52 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 mtt -111.93 150.98 29.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -85.26 161.76 19.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.0 pttp -137.06 31.04 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.59 86.59 4.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -167.95 -43.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.504 HD23 ' OG ' ' A' ' 14' ' ' SER . 6.7 mp -87.25 -29.95 21.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -30.64 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -80.35 -32.64 37.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.886 HD11 HD11 ' B' ' 104' ' ' LEU . 15.5 mt -78.7 160.38 72.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.83 -166.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.587 2.191 . . . . 0.0 112.238 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -101.81 -32.11 10.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -39.83 81.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.02 -47.02 21.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.504 ' OG ' HD23 ' A' ' 6' ' ' LEU . 19.4 t -52.08 -26.55 11.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.226 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -70.05 -44.12 69.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.75 ' O ' HG22 ' A' ' 19' ' ' THR . 0.0 OUTLIER -79.97 -43.13 22.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.8 mt -64.71 -30.1 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.5 -46.61 93.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.827 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.75 HG22 ' O ' ' A' ' 16' ' ' LYS . 10.6 t -60.57 -31.56 70.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.825 0.345 . . . . 0.0 111.083 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.9 t -80.33 -45.53 22.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.214 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 17' ' ' ILE . 61.7 t -55.84 -31.77 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -31.28 50.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.792 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.3 t -80.12 -49.99 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.001 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.693 HD23 ' CB ' ' A' ' 27' ' ' SER . 1.6 mp -110.95 74.82 1.01 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.309 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.519 ' HA ' HD23 ' A' ' 28' ' ' LEU . 73.0 Cg_endo -75.9 -8.58 19.12 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.48 2.12 . . . . 0.0 112.33 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.2 p -108.73 -37.04 6.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.039 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.693 ' CB ' HD23 ' A' ' 24' ' ' LEU . 14.9 t -61.99 -34.94 77.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.731 HD22 HG13 ' A' ' 21' ' ' VAL . 1.5 pp -58.94 -28.82 66.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.846 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -38.64 70.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.949 0.404 . . . . 0.0 110.631 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -72.53 -37.28 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.558 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -72.44 -38.44 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.681 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.443 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -61.94 -41.01 97.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.381 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -31.25 58.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.429 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 34' ' ' LEU . 2.9 tt -60.15 -50.02 75.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.605 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -70.77 -25.34 62.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.939 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -69.48 -50.12 48.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.281 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.424 ' CE2' ' HA ' ' A' ' 34' ' ' LEU . 1.3 p90 -70.46 -30.58 67.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.817 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.89 -30.9 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.019 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.415 HD21 ' HB1' ' B' ' 108' ' ' ALA . 4.4 mt -67.38 -36.3 81.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -60.12 -31.14 69.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.972 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -65.73 -31.6 72.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -66.8 -33.24 75.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.812 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.2 m -100.59 109.27 21.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -162.25 123.28 2.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -87.43 169.05 12.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 140.73 48.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -92.92 179.58 5.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -111.26 -45.65 3.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -151.16 83.45 1.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.89 37.39 4.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -131.0 112.22 12.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.52 141.42 33.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.75 176.42 9.84 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.516 2.144 . . . . 0.0 112.419 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -108.78 120.53 42.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.4 mm -111.74 106.0 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.19 -55.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.98 166.53 11.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 m -130.73 -63.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 p -151.81 134.53 15.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.46 -40.11 6.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.08 179.69 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.3 mp -108.67 113.43 26.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.61 173.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -98.93 31.48 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.991 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -83.87 -56.56 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -128.92 169.42 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.061 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -110.29 149.93 29.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 52.8 mtt -107.17 77.24 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 2.4 mtt 60.18 173.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.8 t -137.56 122.49 18.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.64 -177.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.765 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 mp -141.01 26.47 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.617 ' O ' HD23 ' B' ' 79' ' ' LEU . 27.3 p90 -79.98 -10.45 59.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.173 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.444 ' HG ' ' CE1' ' B' ' 75' ' ' PHE . 1.0 OUTLIER -97.45 27.02 4.49 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.719 0.295 . . . . 0.0 110.975 179.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.27 -47.6 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.738 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -68.02 -59.29 3.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.799 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.617 HD23 ' O ' ' B' ' 75' ' ' PHE . 2.7 pp -54.07 168.66 0.42 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.449 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.547 ' N ' HD12 ' B' ' 79' ' ' LEU . 89.8 Cg_exo -44.96 93.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.339 2.026 . . . . 0.0 112.406 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.09 -25.77 9.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.247 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 48.1 t -64.5 -36.93 85.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.699 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 71.7 mt -80.11 -36.93 34.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.989 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.4 p -55.95 -28.81 58.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.007 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -37.26 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.603 ' O ' HG22 ' B' ' 89' ' ' THR . 25.7 mtpt -80.09 -30.8 39.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.885 ' O ' HG23 ' B' ' 91' ' ' VAL . 41.7 mt -70.49 -37.37 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.92 -48.03 87.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.798 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.603 HG22 ' O ' ' B' ' 86' ' ' LYS . 11.8 t -59.87 -31.76 70.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.657 0.265 . . . . 0.0 111.12 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 86' ' ' LYS . 38.5 t -80.08 -43.85 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.022 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 1.015 HG11 HD12 ' B' ' 98' ' ' LEU . 49.5 t -58.58 -31.06 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -52.8 -32.05 41.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.058 0.456 . . . . 0.0 110.709 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.568 ' O ' HD22 ' B' ' 94' ' ' LEU . 49.0 t -80.1 -37.6 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.041 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.847 HD12 ' HB2' ' B' ' 97' ' ' SER . 4.0 mm? -123.71 71.63 50.14 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.32 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.94 -15.27 43.31 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.411 2.074 . . . . 0.0 111.832 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.6 p -96.21 -38.42 10.14 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.847 ' HB2' HD12 ' B' ' 94' ' ' LEU . 4.4 t -59.06 -46.73 87.53 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.919 0.39 . . . . 0.0 110.8 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 1.015 HD12 HG11 ' B' ' 91' ' ' VAL . 0.2 OUTLIER -45.19 -39.53 6.32 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.428 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -54.6 -48.09 72.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.065 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' B' ' 97' ' ' SER . 2.3 mp -63.87 -36.39 76.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -73.11 -29.4 62.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.969 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 3.5 mt-10 -57.42 -41.99 81.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -79.02 -25.96 43.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.886 HD11 HD11 ' A' ' 9' ' ' LEU . 1.7 tt -66.5 -49.93 64.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.9 OUTLIER -68.3 -32.16 72.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.41 -31.3 63.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -58.52 -49.34 77.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.415 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -64.08 -28.84 70.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 97.5 mt -74.06 -42.53 60.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -57.23 -24.66 56.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -61.57 -18.06 57.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.356 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -50.34 -26.83 5.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.736 0.303 . . . . 0.0 111.38 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 3.3 p -142.2 -72.41 0.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 63.01 18.73 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.243 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 53.3 179.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.52 143.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 82.1 p -146.7 20.69 1.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 61.44 -81.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.032 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.37 139.41 21.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.785 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.93 -64.49 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.05 163.36 33.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -162.11 79.34 1.96 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -51.85 173.24 0.11 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.587 2.191 . . . . 0.0 112.41 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.0 102.37 3.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 15.8 mt 50.76 79.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -163.62 31.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.57 -172.76 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 69.1 p -113.42 170.88 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.09 143.55 28.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -129.97 147.89 51.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.4 mp -82.48 -31.99 29.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.5 mt -111.1 175.39 5.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -155.88 -45.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 2.7 p -97.54 93.51 6.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -124.93 145.94 49.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -126.5 32.49 5.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.226 -0.893 . . . . 0.0 111.079 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.65 121.56 12.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.3 mtt -118.08 -40.94 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -101.9 79.28 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 t -173.97 119.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -139.22 51.05 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.99 93.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -167.31 -57.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.463 HD21 ' CA ' ' A' ' 18' ' ' GLY . 5.5 mp -71.81 -27.05 62.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.18 -44.92 84.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.038 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.06 -66.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.517 HD13 HD12 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -54.86 157.99 5.01 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.86 151.95 14.55 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.649 2.233 . . . . 0.0 112.276 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -30.53 65.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.8 p -57.67 -47.31 82.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.055 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.98 -35.12 37.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.9 t -53.02 -27.33 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.256 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -44.62 90.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.179 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.742 ' O ' HG23 ' A' ' 20' ' ' VAL . 24.1 mttt -79.96 -42.63 23.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.728 ' O ' HG23 ' A' ' 21' ' ' VAL . 68.5 mt -59.61 -47.13 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.076 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.463 ' CA ' HD21 ' A' ' 6' ' ' LEU . . . -63.27 -26.19 69.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.664 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.02 -29.04 39.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.744 0.307 . . . . 0.0 111.319 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 16' ' ' LYS . 20.1 t -80.06 -30.1 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.588 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.861 HG22 ' CD1' ' A' ' 28' ' ' LEU . 22.0 t -53.46 -33.35 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.231 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -56.29 -28.16 57.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.879 HG12 HD21 ' B' ' 94' ' ' LEU . 23.6 t -79.99 -30.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.77 HD12 ' HB2' ' B' ' 94' ' ' LEU . 2.8 mt -145.49 69.53 13.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.187 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.05 -8.9 24.58 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.304 2.003 . . . . 0.0 111.724 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.49 -35.28 9.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.698 ' CB ' HD13 ' A' ' 24' ' ' LEU . 41.6 t -67.64 -41.35 84.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.861 0.362 . . . . 0.0 110.815 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.861 ' CD1' HG22 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -52.88 -28.72 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -60.25 -29.16 68.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.4 mt -79.48 -44.8 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.209 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 16.6 m-85 -64.78 -45.13 87.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.057 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 22.4 pt-20 -58.52 -41.65 85.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -76.67 -25.7 54.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.012 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 34' ' ' LEU . 4.5 tt -68.23 -50.03 56.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.455 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.2 p90 -66.67 -41.53 87.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.443 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -61.56 -36.22 80.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -66.91 -50.03 63.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.8 -23.71 66.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.386 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.478 HD22 ' ND2' ' B' ' 112' ' ' ASN . 61.5 mt -76.27 -29.61 57.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -73.04 -36.14 66.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.156 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -26.45 68.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -57.21 -30.78 64.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 m -69.26 175.56 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -90.35 148.35 22.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -135.89 117.99 15.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -152.23 -177.69 6.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.8 p 52.3 77.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.03 -40.89 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.805 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -153.97 -175.15 5.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -67.6 -171.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.71 114.4 26.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.98 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.69 112.28 12.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.761 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -51.35 144.96 29.32 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.453 2.102 . . . . 0.0 112.293 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -93.09 66.52 4.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 55' ' ' ILE . 9.0 tp -155.8 116.81 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -90.57 -32.9 16.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.37 143.89 30.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.7 -167.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.75 -61.95 0.46 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 75.88 -66.03 0.29 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.816 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.2 mt 68.5 -67.06 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.99 154.07 40.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.843 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.83 -177.99 3.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 t -152.27 131.46 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -122.78 -43.78 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.35 158.1 18.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.817 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.113 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 60.6 80.21 0.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 8.7 mtm -158.76 31.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.32 101.2 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.6 p -173.61 169.57 4.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.64 85.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 16.2 mt -145.4 28.51 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.509 ' O ' HD21 ' B' ' 79' ' ' LEU . 53.6 p90 -134.52 25.19 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.526 ' HA ' HD11 ' B' ' 79' ' ' LEU . 36.6 mt -133.54 12.43 4.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.261 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.71 -41.38 2.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.779 0.323 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -69.78 -60.95 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' B' ' 76' ' ' LEU . 0.3 OUTLIER -49.72 163.61 0.39 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.827 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 90.9 Cg_exo -44.28 93.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.552 2.168 . . . . 0.0 112.419 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.92 -23.98 21.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.236 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 3.0 m -57.29 -41.49 79.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mp -80.02 -30.87 39.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.645 ' HA ' HD12 ' B' ' 87' ' ' ILE . 0.4 OUTLIER -49.45 -28.44 5.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -45.3 93.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.738 ' O ' HG22 ' B' ' 89' ' ' THR . 7.3 mtpt -80.04 -30.24 39.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.892 ' O ' HG23 ' B' ' 91' ' ' VAL . 34.1 mt -67.26 -44.7 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.18 -45.07 57.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.818 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.738 HG22 ' O ' ' B' ' 86' ' ' LYS . 14.6 t -64.45 -30.94 71.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.602 HG23 ' O ' ' B' ' 86' ' ' LYS . 24.9 t -80.22 -38.41 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.228 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 87' ' ' ILE . 20.2 t -55.21 -38.83 48.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.348 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -27.63 10.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.432 HG12 ' CD2' ' B' ' 94' ' ' LEU . 17.8 t -80.0 -49.94 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.879 HD21 HG12 ' A' ' 23' ' ' VAL . 4.2 mm? -120.56 72.97 21.71 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.6 -10.58 28.19 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.439 2.093 . . . . 0.0 112.237 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.7 p -104.16 -31.45 9.62 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.07 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.839 ' HB2' HD12 ' B' ' 94' ' ' LEU . 4.0 t -67.3 -43.5 81.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.582 HD12 HG22 ' B' ' 91' ' ' VAL . 0.6 OUTLIER -53.68 -27.31 26.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.204 -179.766 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.09 -35.72 73.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.776 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.596 HG21 HG12 ' A' ' 17' ' ' ILE . 34.5 mt -80.08 -33.93 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 25.1 m-85 -75.56 -42.86 51.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.431 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 12.3 pt-20 -55.95 -41.48 74.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.766 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -78.67 -17.6 55.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.457 HD11 HD22 ' A' ' 9' ' ' LEU . 1.4 tt -75.7 -50.15 16.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.088 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.431 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 2.2 p90 -61.32 -39.39 90.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.894 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.411 ' N ' ' CD1' ' B' ' 105' ' ' TYR . 0.8 OUTLIER -68.69 -31.4 70.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.787 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -60.41 -50.04 75.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.18 63.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -36.85 77.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -73.25 -31.2 63.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.19 -36.15 81.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.0 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . 0.478 ' ND2' HD22 ' A' ' 39' ' ' LEU . 1.4 m-80 -80.05 -34.79 37.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 12.8 t -77.51 -67.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.95 -175.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.86 28.78 18.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.85 98.26 9.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.86 106.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.772 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -77.81 -4.44 46.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.442 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 63.99 33.91 11.89 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -87.49 -30.68 20.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.46 -176.24 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . 0.486 ' CB ' ' HD3' ' B' ' 123' ' ' PRO . 4.4 tptt -156.32 -58.38 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . 0.486 ' HD3' ' CB ' ' B' ' 122' ' ' LYS . 51.7 Cg_exo -54.96 156.93 14.23 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.188 1.925 . . . . 0.0 112.139 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -89.02 102.1 14.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 8.9 tp -106.31 153.33 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.993 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -161.06 -41.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 74.48 104.72 0.07 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 80.5 p -147.44 -175.09 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 84.7 p -149.52 84.37 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -126.7 114.11 17.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.85 -169.08 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 3.2 tp -63.5 -177.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -113.82 172.94 6.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.11 84.6 2.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -134.39 -46.96 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -128.88 143.9 51.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.318 -0.848 . . . . 0.0 111.029 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -128.31 38.92 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.2 ptp -132.95 147.41 52.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtm -153.45 156.78 38.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.32 83.92 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -124.0 77.67 1.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.09 27.0 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.501 ' CE2' HD13 ' A' ' 6' ' ' LEU . 17.9 p90 -121.67 -40.53 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.96 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.678 ' HA ' HD12 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -69.05 -33.65 73.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.64 -29.19 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -96.99 37.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 6' ' ' LEU . 29.9 mt -136.85 151.25 72.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.2 162.99 1.74 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.477 2.118 . . . . 0.0 112.279 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -84.2 -31.49 25.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -49.1 78.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.35 -44.08 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.6 m -50.09 -27.39 5.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.274 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.1 mtp85 -69.44 -48.21 61.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.706 ' O ' HG23 ' A' ' 20' ' ' VAL . 87.4 mttt -73.69 -40.04 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.906 ' O ' HG23 ' A' ' 21' ' ' VAL . 65.7 mt -64.65 -50.18 76.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.798 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.72 -25.97 56.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.425 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -34.67 37.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.675 0.274 . . . . 0.0 111.124 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 16' ' ' LYS . 23.3 t -80.04 -32.2 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.59 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 17' ' ' ILE . 42.3 t -50.14 -39.05 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.813 0.34 . . . . 0.0 111.265 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.57 -28.36 8.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.921 HG12 HD11 ' B' ' 94' ' ' LEU . 25.9 t -80.1 -32.87 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.825 HD13 ' CB ' ' A' ' 27' ' ' SER . 3.6 mt -144.32 70.85 16.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.408 . . . . 0.0 111.444 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.83 -12.65 35.04 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.257 1.972 . . . . 0.0 111.488 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 p -96.81 -40.55 8.88 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.033 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.825 ' CB ' HD13 ' A' ' 24' ' ' LEU . 13.3 t -59.93 -42.39 93.88 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.808 0.337 . . . . 0.0 110.705 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.569 HD12 HG22 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -54.07 -34.46 60.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.16 -27.01 65.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.449 HG21 HG12 ' B' ' 87' ' ' ILE . 40.1 mt -73.28 -50.11 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.205 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -59.97 -34.3 73.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -57.2 -50.16 73.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.824 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -41.73 95.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.665 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mt -65.77 -46.86 77.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.578 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -35.33 79.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.677 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -79.95 -32.62 39.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.837 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -66.62 -49.16 67.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.48 -21.08 35.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.541 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.1 mt -73.65 -28.91 62.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -79.93 -41.6 25.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.934 0.397 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -27.8 63.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.69 -32.44 70.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.5 p -129.39 -177.32 4.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.988 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -142.83 114.94 8.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -139.87 31.58 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.36 106.5 10.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.81 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.92 89.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.66 165.09 11.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.816 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -82.13 158.14 23.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.56 41.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.91 152.96 24.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -140.61 142.32 28.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.99 109.78 2.99 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.542 2.161 . . . . 0.0 112.283 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.87 121.89 46.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mp -109.93 -46.99 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 61.06 115.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.9 -32.44 34.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -131.49 96.95 4.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.38 141.51 29.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.04 139.92 50.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.541 ' O ' HD23 ' A' ' 61' ' ' LEU . 3.0 tt -107.36 -27.99 10.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 mt 63.86 145.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.729 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' O ' HG22 ' A' ' 64' ' ' THR . 0.5 OUTLIER 68.77 -66.96 0.22 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 63' ' ' LYS . 14.9 t 45.45 -168.06 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.404 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.86 170.18 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 60.14 60.76 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.152 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -68.99 105.45 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 60.27 171.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 3.4 ttm -120.95 130.01 53.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.5 m -78.26 176.8 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -102.41 -177.99 3.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 mt -179.79 -35.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.544 ' O ' HD23 ' B' ' 79' ' ' LEU . 51.7 p90 -82.62 3.35 29.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.573 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 82.6 mt -98.78 -28.34 13.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.802 0.334 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.51 -40.51 70.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.081 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.86 -68.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.588 HD12 ' N ' ' B' ' 80' ' ' PRO . 2.0 pp -51.86 171.4 0.19 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.512 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.588 ' N ' HD12 ' B' ' 79' ' ' LEU . 86.3 Cg_exo -47.08 91.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.316 2.011 . . . . 0.0 112.354 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -51.97 -27.31 12.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.254 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -40.77 89.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.687 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.07 -36.48 35.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.801 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 31.3 m -51.03 -27.26 7.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.268 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -58.97 -41.99 88.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.741 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -80.17 -30.2 38.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.856 ' O ' HG23 ' B' ' 91' ' ' VAL . 32.1 mt -69.28 -37.16 75.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.019 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.27 -42.05 95.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.728 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.741 HG22 ' O ' ' B' ' 86' ' ' LYS . 13.3 t -66.31 -28.75 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.761 0.315 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 86' ' ' LYS . 21.5 t -80.06 -35.11 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.258 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.856 HG23 ' O ' ' B' ' 87' ' ' ILE . 21.7 t -58.31 -32.43 44.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -56.76 -30.34 63.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.109 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.605 ' O ' HD12 ' B' ' 94' ' ' LEU . 20.6 t -79.99 -38.23 18.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.305 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.921 HD11 HG12 ' A' ' 23' ' ' VAL . 6.6 mp -134.3 70.35 73.18 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.26 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.45 -23.96 27.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.494 2.129 . . . . 0.0 111.959 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.8 m -86.91 -31.77 20.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.823 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.622 ' CB ' HD23 ' B' ' 94' ' ' LEU . 3.8 t -66.08 -46.79 76.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.749 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.411 HD12 HG22 ' B' ' 91' ' ' VAL . 0.6 OUTLIER -49.97 -30.0 9.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.307 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.69 -48.02 78.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.68 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' B' ' 97' ' ' SER . 2.1 mp -63.69 -39.79 86.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.419 ' CZ ' ' HG ' ' A' ' 28' ' ' LEU . 30.3 m-85 -72.64 -28.38 62.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.933 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -54.69 -44.0 73.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 0.0 110.741 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -23.4 41.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.733 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.669 HD21 HD21 ' A' ' 9' ' ' LEU . 1.2 tt -70.31 -50.27 41.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.107 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.38 -31.84 71.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.703 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -80.09 -31.98 39.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.671 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -60.63 -50.06 75.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.746 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.37 -21.35 49.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.268 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.54 -26.93 45.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.013 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.98 -33.41 39.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.127 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -20.79 56.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.278 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -31.66 19.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.823 0.344 . . . . 0.0 111.223 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 39.7 t -160.85 88.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -70.14 -31.23 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -69.03 123.41 20.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -86.79 -34.05 19.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 1.4 m -165.68 32.67 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -59.87 118.01 5.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.42 83.46 2.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.14 30.54 5.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -167.61 90.66 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -161.4 100.24 1.23 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.14 141.63 53.17 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.464 2.109 . . . . 0.0 112.264 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.42 76.61 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 5.4 tp -147.46 140.32 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -142.29 135.99 29.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.63 -172.97 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.4 m -76.69 95.76 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.06 103.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.8 42.03 13.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 mt 61.59 -177.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 61.01 83.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.02 82.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 55.6 p -141.77 135.82 30.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -111.5 129.12 56.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 60.4 -176.12 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 22.8 mt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.066 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.592 -0.203 . . . . 0.0 112.592 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . 0.412 ' CE1' ' HG3' ' A' ' 1' ' ' MET . 7.6 p80 -110.42 162.85 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.7 mtt -108.07 124.02 49.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.412 ' HG3' ' CE1' ' A' ' -1' ' ' HIS . 1.1 mtp -126.98 57.36 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.3 p -159.38 84.58 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 37.56 2.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.99 -31.17 69.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -92.19 -13.94 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' HA ' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -93.77 20.1 7.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.758 0.313 . . . . 0.0 111.225 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -117.02 -23.02 8.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.203 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -96.51 37.48 1.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.773 0.321 . . . . 0.0 111.04 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 10' ' ' PRO . 2.9 pp -149.45 160.26 34.8 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.487 ' O ' HD12 ' A' ' 9' ' ' LEU . 65.9 Cg_exo -51.17 -177.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.575 2.184 . . . . 0.0 112.497 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.45 -27.15 13.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 m -77.78 -33.34 52.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -30.27 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.97 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -28.15 40.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.164 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -74.15 -35.81 64.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' O ' HG22 ' A' ' 19' ' ' THR . 12.2 mtmm -80.01 -29.48 39.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.931 ' O ' HG23 ' A' ' 21' ' ' VAL . 28.9 mt -79.95 -48.28 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.35 -25.15 62.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.988 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 16' ' ' LYS . 10.2 t -79.97 -39.49 29.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.721 0.296 . . . . 0.0 111.352 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.617 HG21 ' OG ' ' B' ' 97' ' ' SER . 14.3 p -72.14 -31.22 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.203 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 17' ' ' ILE . 40.0 t -55.05 -30.92 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.745 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -27.99 62.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.728 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.588 HG12 HD22 ' A' ' 24' ' ' LEU . 46.7 t -78.09 -50.13 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.933 HD23 HD13 ' B' ' 94' ' ' LEU . 4.0 mm? -117.18 77.12 9.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.54 -8.24 22.21 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.564 2.176 . . . . 0.0 112.283 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -110.12 -31.76 7.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.017 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.761 ' HB2' HD12 ' A' ' 24' ' ' LEU . 1.7 t -64.86 -48.26 74.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.786 HD13 HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -47.46 -29.22 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.218 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -33.22 68.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.724 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.408 HG21 HG12 ' B' ' 87' ' ' ILE . 13.9 mt -80.24 -40.61 20.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.471 ' CE1' HD11 ' B' ' 98' ' ' LEU . 12.2 m-85 -69.4 -45.92 68.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.066 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.417 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -55.31 -38.68 69.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.786 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -80.03 -23.07 41.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.732 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.475 ' O ' HD23 ' A' ' 34' ' ' LEU . 1.5 tt -70.02 -50.07 45.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.417 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 1.6 p90 -66.81 -31.0 71.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.957 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -31.52 67.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -59.65 -50.08 75.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.65 -19.42 65.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.335 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.682 HD23 HD22 ' B' ' 112' ' ' ASN . 0.2 OUTLIER -78.97 -29.51 43.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.851 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -78.04 -41.25 36.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -26.81 65.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -30.67 65.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.64 -176.24 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 60.35 175.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.39 -78.0 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -171.86 57.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.123 0.487 . . . . 0.0 110.812 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.3 t 59.38 -171.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -138.17 -59.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -101.77 165.23 11.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.782 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -128.53 88.36 2.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.78 75.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.787 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -126.7 94.0 41.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.31 87.03 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.428 2.086 . . . . 0.0 112.368 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -145.58 169.25 18.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.5 mp -136.11 105.42 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.75 97.92 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.32 55.56 3.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -141.26 93.81 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -93.25 82.97 4.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.825 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -153.25 154.16 34.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.01 -59.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.15 -178.62 3.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -123.69 151.99 42.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.4 p -88.98 53.3 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -111.49 84.24 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 67' ' ' ILE . 6.9 mt-10 -80.56 178.1 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 66' ' ' GLU . 4.6 tt . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.464 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -127.51 -72.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.335 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -91.49 78.53 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.11 -46.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.91 34.09 3.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -123.74 111.0 15.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.73 -41.99 2.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.99 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.63 ' CE2' HD22 ' B' ' 98' ' ' LEU . 34.9 p90 -70.86 64.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.825 HD23 ' OG ' ' B' ' 84' ' ' SER . 0.2 OUTLIER -176.95 -39.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -89.0 -30.84 18.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -88.73 -64.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.962 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.763 HD11 ' HA ' ' B' ' 76' ' ' LEU . 1.4 pp -46.74 162.45 0.26 Allowed Pre-proline 0 N--CA 1.462 0.165 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.812 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 90.9 Cg_exo -42.79 93.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.592 2.195 . . . . 0.0 112.465 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -51.32 -26.83 8.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.356 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 7.6 p -59.67 -37.5 78.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.906 0.384 . . . . 0.0 110.707 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 61.2 mt -80.05 -27.28 39.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.789 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.825 ' OG ' HD23 ' B' ' 76' ' ' LEU . 3.2 t -54.82 -36.24 64.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.998 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -39.37 81.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.689 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.901 ' O ' HG22 ' B' ' 89' ' ' THR . 0.2 OUTLIER -79.99 -45.47 18.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.591 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.918 ' O ' HG23 ' B' ' 91' ' ' VAL . 34.4 mt -63.58 -33.4 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.707 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.44 -28.37 62.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.095 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.901 HG22 ' O ' ' B' ' 86' ' ' LYS . 9.7 t -80.07 -34.58 37.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.822 0.311 . . . . 0.0 111.471 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.424 HG12 ' O ' ' B' ' 87' ' ' ILE . 15.0 p -80.4 -36.28 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.752 0.31 . . . . 0.0 111.171 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 87' ' ' ILE . 61.2 t -57.81 -26.09 27.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.31 -43.37 83.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.987 0.422 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 47.3 t -80.25 -27.27 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.578 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.933 HD13 HD23 ' A' ' 24' ' ' LEU . 12.6 tp -129.49 55.54 19.02 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.249 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' B' ' 94' ' ' LEU . 88.7 Cg_endo -82.47 -2.66 11.15 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.696 2.264 . . . . 0.0 112.543 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 13.3 t -103.26 -36.86 7.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.242 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.617 ' OG ' HG21 ' A' ' 20' ' ' VAL . 3.6 t -66.71 -46.73 74.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.797 0.332 . . . . 0.0 111.019 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.63 HD22 ' CE2' ' B' ' 75' ' ' PHE . 0.2 OUTLIER -45.57 -29.66 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.465 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -57.64 -36.87 72.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.373 . . . . 0.0 110.787 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.554 HD12 ' O ' ' B' ' 97' ' ' SER . 3.0 mp -74.68 -33.82 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -73.96 -30.7 62.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.448 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -59.82 -49.41 77.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.572 179.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -19.47 61.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.91 -50.04 26.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.043 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.559 ' O ' HD12 ' B' ' 109' ' ' LEU . 1.7 p90 -62.11 -28.54 69.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.914 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.447 ' CG ' ' CE1' ' B' ' 105' ' ' TYR . 6.8 mtpm? -77.3 -32.27 55.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.823 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -67.47 -50.11 60.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.01 -29.9 69.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.061 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.559 HD12 ' O ' ' B' ' 105' ' ' TYR . 0.2 OUTLIER -64.37 -31.66 72.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -77.16 -32.38 56.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.16 -32.41 73.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . 0.682 HD22 HD23 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -74.09 -33.31 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 18.3 m -108.74 83.73 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -98.72 33.33 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -174.05 84.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -78.1 71.59 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 1.5 m -142.82 107.17 4.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.75 166.28 22.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -67.77 115.06 6.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.68 -40.84 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -84.95 55.98 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.967 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . 0.44 ' CB ' ' HD3' ' B' ' 123' ' ' PRO . 4.6 mtpt -85.34 -60.66 0.28 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . 0.44 ' HD3' ' CB ' ' B' ' 122' ' ' LYS . 87.1 Cg_endo -80.91 55.5 5.71 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.526 2.151 . . . . 0.0 112.394 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -70.39 110.41 5.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 2.5 tt -162.98 133.23 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -93.32 -23.26 18.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.98 113.92 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.39 167.09 20.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.804 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 89.9 p -91.49 92.02 8.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -76.34 -179.7 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.93 -39.01 52.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.51 123.81 31.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.09 144.2 44.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 67.6 p -108.53 38.25 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.1 t70 63.55 126.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -67.94 158.65 32.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.128 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . 0.452 ' O ' HD21 ' A' ' 4' ' ' LEU . 43.8 m80 -93.73 -62.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.64 172.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mtp -109.15 31.15 5.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 t -100.58 98.74 9.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.438 ' HA ' ' CE1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER 60.94 47.05 7.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.452 HD21 ' O ' ' A' ' -1' ' ' HIS . 0.8 OUTLIER -95.51 82.74 3.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 3' ' ' LYS . 27.8 p90 -179.34 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.785 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' HA ' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -77.76 -21.41 51.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -96.04 30.76 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.05 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -137.92 33.63 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.7 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.487 ' CD1' HD12 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -157.47 161.79 28.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.764 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -51.14 -179.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.517 2.145 . . . . 0.0 112.256 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.95 -32.96 13.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.043 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 m -63.13 -43.01 99.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.651 HD23 ' HE2' ' A' ' 16' ' ' LYS . 6.1 mt -74.2 -50.08 20.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.023 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.432 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.4 t -49.46 -27.38 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.299 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -65.49 -42.34 92.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.061 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.651 ' HE2' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -80.01 -16.88 54.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.504 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.919 ' O ' HG23 ' A' ' 21' ' ' VAL . 70.4 mt -80.08 -49.92 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.84 -26.1 32.17 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.954 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 16' ' ' LYS . 6.6 t -80.03 -39.09 30.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.733 0.267 . . . . 0.0 111.441 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 17' ' ' ILE . 13.6 p -79.87 -30.45 13.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.772 0.32 . . . . 0.0 111.454 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.0 t -60.18 -33.96 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.757 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -58.27 -26.16 62.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 t -80.02 -34.77 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.841 HD13 ' CB ' ' A' ' 27' ' ' SER . 1.6 mt -137.22 66.25 52.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 0.0 111.208 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.66 -11.62 31.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.397 2.065 . . . . 0.0 111.834 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -40.9 8.52 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.841 ' CB ' HD13 ' A' ' 24' ' ' LEU . 1.8 t -61.41 -37.68 84.35 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.836 0.35 . . . . 0.0 110.645 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.764 HD13 HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -54.55 -28.72 47.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -58.81 -38.72 79.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.3 mt -69.27 -49.06 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -63.92 -29.7 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 25.0 tt0 -58.2 -41.63 84.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -79.98 -22.71 42.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 34' ' ' LEU . 2.7 tt -71.53 -46.85 58.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.185 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.44 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.6 p90 -70.51 -31.35 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.008 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.436 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 16.4 mtpt -76.26 -30.52 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.64 -50.1 70.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.43 71.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.161 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 35' ' ' TYR . 5.1 mt -72.38 -32.98 66.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -72.8 -24.88 60.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -54.49 -27.19 36.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.155 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.82 -30.66 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 m -71.69 149.44 45.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -95.28 90.45 5.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -155.54 61.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -79.79 66.89 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.46 109.86 5.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -152.95 127.57 9.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -149.38 110.84 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -104.86 134.09 48.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -75.87 111.72 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.964 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' CB ' ' HD3' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -177.9 -52.89 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.439 ' HD3' ' CB ' ' A' ' 52' ' ' LYS . 21.8 Cg_exo -64.98 72.86 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.585 2.19 . . . . 0.0 112.126 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -106.89 178.47 4.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.0 mt -118.09 132.84 66.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -148.7 -46.93 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -174.35 85.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.4 p -163.14 -46.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -158.08 110.77 2.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.15 -29.81 71.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.5 149.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mp -129.56 79.49 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -109.1 -171.42 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.0 t -97.51 37.68 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.07 40.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.38 144.23 47.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.2 tp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.186 -0.911 . . . . 0.0 111.132 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -147.24 110.11 4.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 4.6 tmm? -150.04 92.62 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.82 -177.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -94.34 151.48 19.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.87 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.03 -174.3 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.791 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.622 ' CZ ' HD11 ' B' ' 79' ' ' LEU . 13.0 t80 68.74 -66.72 0.23 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.8 -25.81 68.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -58.22 -35.64 71.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.027 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -93.61 -41.87 9.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.622 HD11 ' CZ ' ' B' ' 75' ' ' PHE . 0.5 OUTLIER -52.71 164.84 0.62 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.681 179.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.594 ' HD2' HD23 ' B' ' 79' ' ' LEU . 1.1 Cg_endo -43.83 94.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.804 2.336 . . . . 0.0 112.199 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -47.1 -29.26 2.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.257 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -66.11 -45.17 82.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.11 -40.25 27.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.565 ' HA ' HD12 ' B' ' 87' ' ' ILE . 11.6 m -50.19 -28.43 7.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -44.17 95.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.472 ' O ' HG22 ' B' ' 89' ' ' THR . 4.6 mtmt -80.14 -21.92 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.178 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.817 ' O ' HG23 ' B' ' 91' ' ' VAL . 35.2 mt -80.02 -43.19 22.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.818 0.342 . . . . 0.0 111.175 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.83 -30.39 69.41 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.918 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.472 HG22 ' O ' ' B' ' 86' ' ' LYS . 8.9 t -75.65 -38.29 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.664 0.269 . . . . 0.0 111.148 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 11.0 p -79.98 -37.99 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.243 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.817 HG23 ' O ' ' B' ' 87' ' ' ILE . 92.5 t -58.24 -33.68 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -27.72 24.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.997 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.685 ' O ' HD22 ' B' ' 94' ' ' LEU . 40.3 t -79.86 -44.46 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.981 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.833 HD12 ' HB2' ' B' ' 97' ' ' SER . 4.3 mm? -127.84 72.14 78.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.279 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.42 -16.37 51.01 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.441 2.094 . . . . 0.0 111.901 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -37.84 9.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.833 ' HB2' HD12 ' B' ' 94' ' ' LEU . 1.6 t -61.72 -36.68 81.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.823 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.671 HD12 ' O ' ' B' ' 98' ' ' LEU . 1.1 tp -61.92 -36.0 80.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.699 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.33 -30.67 60.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.958 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 29.2 mt -70.8 -44.59 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.411 ' HZ ' HD11 ' A' ' 28' ' ' LEU . 12.5 m-85 -73.95 -31.73 63.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.433 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 65.2 tt0 -60.25 -43.85 95.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -80.04 -22.58 42.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.449 ' O ' HD23 ' B' ' 104' ' ' LEU . 1.1 tt -68.64 -49.93 55.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.175 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.5 OUTLIER -61.88 -40.64 96.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.939 -179.75 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -30.53 69.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -70.58 -50.07 41.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.07 -22.9 63.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.347 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.31 -27.9 56.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -73.55 -36.77 65.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.072 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.16 -26.67 68.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.989 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.05 -31.74 69.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 2.3 p -96.37 144.88 26.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -169.96 91.92 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.99 173.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.63 154.67 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.803 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 5.4 m -103.39 113.85 27.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -113.01 31.49 6.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.14 97.28 5.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -126.44 35.84 4.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -94.53 118.98 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -106.3 100.88 31.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -49.54 148.28 11.64 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.526 2.151 . . . . 0.0 112.318 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.55 117.05 28.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 pp -111.54 38.61 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.0 t0 63.0 78.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.91 88.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.4 m -171.54 158.21 5.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 11.6 m -168.1 91.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -165.34 151.76 10.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -70.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.486 ' HA ' HD22 ' B' ' 132' ' ' LEU . 0.2 OUTLIER -84.62 96.67 9.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -74.01 133.87 42.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 79.1 p -133.86 107.75 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.81 70.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -107.69 -31.79 7.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 8.1 pt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.146 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -139.2 121.22 15.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.819 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.51 76.95 0.79 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.732 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.27 -177.89 3.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -111.08 70.32 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.52 30.49 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.37 -31.18 29.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.728 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.527 ' CD2' HD11 ' A' ' 28' ' ' LEU . 41.5 t80 -60.0 -40.69 90.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.571 HD21 ' HA2' ' A' ' 18' ' ' GLY . 5.0 mp -74.11 -29.78 62.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.69 -26.52 63.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -98.79 33.62 2.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.98 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.705 HD21 HD11 ' B' ' 104' ' ' LEU . 96.0 mt -141.7 155.74 66.41 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.685 ' CG ' HD12 ' A' ' 13' ' ' LEU . 44.3 Cg_endo -68.5 151.63 75.44 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.54 2.16 . . . . 0.0 112.283 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -31.18 70.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.29 -48.33 82.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.685 HD12 ' CG ' ' A' ' 10' ' ' PRO . 20.8 mt -80.04 -39.8 29.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 t -50.2 -27.43 5.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -64.28 -48.42 75.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -43.17 22.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.792 ' O ' HG23 ' A' ' 21' ' ' VAL . 66.1 mt -59.73 -50.04 81.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.571 ' HA2' HD21 ' A' ' 6' ' ' LEU . . . -60.01 -27.52 64.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.62 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.13 -42.52 23.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.812 0.339 . . . . 0.0 111.268 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.541 HG21 ' HB2' ' B' ' 97' ' ' SER . 11.9 p -74.87 -45.03 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.461 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 17' ' ' ILE . 74.6 t -53.72 -27.67 15.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.133 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -56.97 -29.96 63.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.617 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.79 -50.1 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.955 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.068 HD13 HD13 ' B' ' 94' ' ' LEU . 1.4 mp -118.01 65.32 5.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.12 -26.56 30.49 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.646 2.23 . . . . 0.0 112.1 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 p -82.88 -37.45 24.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.81 ' CB ' HD23 ' A' ' 24' ' ' LEU . 4.1 t -68.5 -29.53 68.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.801 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.759 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -60.26 -30.34 69.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.614 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.25 -40.4 85.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.813 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.8 mt -65.75 -44.56 93.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.416 ' CD2' ' CE2' ' B' ' 101' ' ' PHE . 32.9 m-85 -64.9 -27.81 69.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -57.25 -48.66 78.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -72.45 -23.83 61.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.637 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -50.12 60.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.482 ' HD1' HD12 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -67.17 -32.45 73.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -76.41 -35.08 58.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.76 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.32 -50.1 74.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.72 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.16 -23.3 64.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.245 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.784 HD11 ' HB1' ' B' ' 108' ' ' ALA . 2.5 mt -79.99 -30.33 39.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -79.99 -39.56 29.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.012 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.52 -25.8 68.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -55.15 -24.47 26.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 65.11 143.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -158.75 170.61 21.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.738 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -74.39 169.9 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -164.24 32.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -109.62 105.16 14.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.14 172.97 6.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -101.31 126.78 48.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.37 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.66 117.97 35.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -88.1 -52.68 0.38 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 52' ' ' LYS . 54.3 Cg_exo -52.22 -176.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.478 2.119 . . . . 0.0 112.285 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.63 89.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 tt -132.52 145.36 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.2 -68.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.22 135.75 57.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.27 43.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.6 m 61.19 36.65 17.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -86.03 118.29 25.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 mp -102.42 -177.14 3.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.69 156.67 39.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.66 -174.54 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.784 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.6 p -60.07 160.89 7.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -60.35 129.36 41.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.5 -56.34 22.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.055 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -82.37 79.79 8.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -134.02 31.38 3.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.73 -175.21 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.815 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 45.3 m -70.29 68.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -136.68 29.61 2.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.615 ' C ' HD22 ' B' ' 74' ' ' LEU . 0.0 OUTLIER -156.84 145.78 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 61.2 t80 56.46 23.44 7.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.062 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 15.5 mt -147.11 -47.59 0.18 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.621 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -34.88 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.763 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -65.77 -70.75 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.611 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.514 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 1.1 pp -53.2 174.02 0.16 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.251 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 86.8 Cg_exo -45.87 92.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.252 1.968 . . . . 0.0 112.205 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.06 -27.33 5.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.388 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.9 p -59.55 -32.75 70.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.59 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -30.9 39.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.882 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 32.1 t -52.58 -26.76 14.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -59.24 -46.51 88.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -35.81 35.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.842 ' O ' HG23 ' B' ' 91' ' ' VAL . 52.1 mt -68.31 -50.11 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.46 -22.16 58.51 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.477 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.5 -40.11 30.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 27' ' ' SER . 11.2 p -80.15 -39.38 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.243 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.842 HG23 ' O ' ' B' ' 87' ' ' ILE . 56.2 t -57.98 -29.19 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 4.7 mtp-105 -56.05 -30.21 61.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.737 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 58.5 t -80.03 -49.94 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 1.068 HD13 HD13 ' A' ' 24' ' ' LEU . 1.1 mp -116.19 65.55 2.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.43 -40.77 5.42 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.538 2.159 . . . . 0.0 112.058 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.7 p -68.41 -32.62 72.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.561 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.593 ' CB ' HD23 ' B' ' 94' ' ' LEU . 11.9 t -70.25 -31.47 68.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.769 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.627 HD22 HG11 ' B' ' 91' ' ' VAL . 0.8 OUTLIER -60.35 -31.77 70.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.398 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -31.66 68.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.485 HG21 HG12 ' A' ' 17' ' ' ILE . 43.3 mt -67.77 -49.84 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.025 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.416 ' CE2' ' CD2' ' A' ' 31' ' ' PHE . 12.7 m-85 -64.81 -37.58 88.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.763 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 2.3 mt-10 -61.16 -49.26 77.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.493 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -28.12 65.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.513 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.705 HD11 HD21 ' A' ' 9' ' ' LEU . 8.3 tt -62.79 -50.02 72.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.733 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.0 OUTLIER -69.41 -20.08 63.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -50.2 74.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.331 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -78.5 -28.17 46.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.064 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.784 ' HB1' HD11 ' A' ' 39' ' ' LEU . . . -57.15 -29.37 63.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.185 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 40.0 mt -77.64 -32.93 53.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.024 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -71.11 -36.3 72.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.13 -27.28 39.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -57.21 -32.35 66.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.047 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 1.4 m -110.63 140.99 44.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -135.11 21.03 3.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.301 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 33.6 t70 61.12 116.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.798 0.332 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -114.97 83.61 1.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.88 28.33 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.01 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 56.89 52.03 9.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.43 81.11 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -131.28 32.91 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 3.1 tttt 60.39 160.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -66.36 121.52 77.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.14 120.63 6.69 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.34 2.026 . . . . 0.0 112.313 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -109.38 -179.37 3.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.611 ' O ' HG23 ' B' ' 125' ' ' ILE . 18.3 tt -156.46 106.22 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.07 119.21 38.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -113.16 150.38 32.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.017 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 44.6 m -125.2 -44.48 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.763 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 2.4 t -127.19 139.87 52.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.815 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -98.86 -49.75 4.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 2.9 mt -77.54 146.21 36.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' B' ' 136' ' ' GLU . 4.5 mp -59.45 151.26 24.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.54 41.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.044 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.72 -74.0 0.39 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.98 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.08 87.9 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . 0.477 ' HB3' HD22 ' B' ' 132' ' ' LEU . 4.8 tt0 -131.6 -46.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 1.7 pt . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.059 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.17 -57.72 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.07 -80.1 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 61.28 154.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -82.07 148.08 28.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -121.65 132.12 54.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.58 29.33 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -115.9 -39.13 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.66 -29.69 14.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -62.95 -17.85 62.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.01 35.14 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.33 . . . . 0.0 111.023 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.682 HD11 HD11 ' B' ' 104' ' ' LEU . 29.0 mt -148.77 148.69 28.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -51.83 151.18 15.93 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.525 2.15 . . . . 0.0 112.32 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.47 -36.72 76.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -48.38 79.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.783 HD22 HD11 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -66.79 -48.48 68.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.532 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -50.55 -28.3 8.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -34.7 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -80.11 -32.44 39.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.019 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.957 ' O ' HG23 ' A' ' 21' ' ' VAL . 38.0 mt -66.55 -50.32 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.087 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.24 -22.02 57.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.721 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -37.33 34.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.728 0.299 . . . . 0.0 111.102 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 17' ' ' ILE . 12.1 p -80.15 -30.77 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.557 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.957 HG23 ' O ' ' A' ' 17' ' ' ILE . 45.2 t -56.62 -34.98 43.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.166 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -54.25 -28.83 44.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.819 HG12 HD21 ' B' ' 94' ' ' LEU . 21.3 t -80.03 -38.15 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.186 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.842 HD13 ' CB ' ' A' ' 27' ' ' SER . 2.8 mt -137.19 70.59 55.28 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.278 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.3 -7.38 20.85 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.447 2.098 . . . . 0.0 111.893 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 m -104.85 -33.93 8.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.253 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.842 ' CB ' HD13 ' A' ' 24' ' ' LEU . 9.9 t -70.51 -32.74 70.33 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -34.97 63.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -58.21 -32.89 68.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.5 mt -64.73 -45.79 94.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.808 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.452 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 51.9 m-85 -71.09 -25.91 62.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.434 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -56.42 -40.78 75.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.978 0.418 . . . . 0.0 110.622 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.12 -25.41 39.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.69 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.478 HD11 HD22 ' B' ' 79' ' ' LEU . 1.2 tt -65.9 -50.11 65.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -63.15 -37.03 85.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.971 0.415 . . . . 0.0 110.822 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -76.84 -31.09 56.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.766 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -59.87 -50.11 75.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.712 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.56 -31.25 71.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -31.44 72.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -29.07 70.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.955 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -57.34 -31.31 65.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -63.05 -31.28 72.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.3 t -69.14 -49.7 54.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -163.04 -78.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -157.96 -58.14 0.08 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -150.8 171.72 16.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 m -140.14 168.97 18.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -118.96 -175.58 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -135.63 119.93 17.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.48 148.17 37.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -173.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.457 ' CB ' ' CD ' ' A' ' 53' ' ' PRO . 1.2 mtmm -166.13 -64.77 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.041 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 52' ' ' LYS . 45.7 Cg_endo -68.51 121.25 8.17 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.314 2.009 . . . . 0.0 112.285 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -142.53 80.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.0 mp 50.59 96.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.261 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -78.79 79.07 5.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -153.06 37.49 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.4 p -132.78 130.71 40.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.6 m -115.32 134.05 55.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -124.5 118.88 27.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.2 mp -98.98 32.68 2.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.771 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 64' ' ' THR . 0.4 OUTLIER -155.79 -45.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' ASP . 1.4 tttm -58.76 -23.07 59.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 62' ' ' LEU . 45.1 p 56.26 -81.16 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.436 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' LYS . 4.7 p-10 47.32 103.17 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 111.601 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 65.04 162.38 0.13 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.873 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.442 ' OXT' HG22 ' A' ' 67' ' ' ILE . 27.8 mt . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.128 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.401 -0.279 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.25 116.45 29.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 37.5 tpp -109.73 -29.99 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 32.5 mtm 60.37 78.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.808 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.75 127.0 53.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.972 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -144.7 79.61 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.89 -35.16 10.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.513 ' O ' HD23 ' B' ' 79' ' ' LEU . 43.1 p90 -60.39 -30.1 69.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.429 ' HG ' ' CE1' ' B' ' 75' ' ' PHE . 20.3 mt -67.32 -30.36 70.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -77.25 -43.27 34.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -66.68 -67.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.513 HD23 ' O ' ' B' ' 75' ' ' PHE . 2.8 pp -50.45 165.31 0.35 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.631 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.566 ' HB2' HD12 ' B' ' 83' ' ' LEU . 93.0 Cg_exo -44.33 92.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.527 2.151 . . . . 0.0 112.474 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -55.89 -30.04 60.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.092 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -37.3 81.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.729 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' B' ' 80' ' ' PRO . 38.5 mt -80.08 -27.0 39.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.46 ' HA ' HD12 ' B' ' 87' ' ' ILE . 49.9 m -54.59 -30.76 55.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.018 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -42.68 94.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.864 ' O ' HG22 ' B' ' 89' ' ' THR . 0.4 OUTLIER -78.06 -39.63 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.888 ' O ' HG23 ' B' ' 91' ' ' VAL . 20.2 mt -63.7 -32.5 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.73 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.14 -46.62 92.5 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.552 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.864 HG22 ' O ' ' B' ' 86' ' ' LYS . 13.9 t -60.94 -30.22 70.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.822 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 19.2 t -80.13 -36.14 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 87' ' ' ILE . 38.2 t -58.1 -37.58 62.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.11 -26.88 7.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.075 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.695 ' O ' HD22 ' B' ' 94' ' ' LEU . 27.3 t -80.04 -44.84 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.846 HD12 ' HB2' ' B' ' 97' ' ' SER . 4.0 mm? -127.48 70.7 76.55 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.511 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -65.93 -19.12 58.36 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.412 2.075 . . . . 0.0 111.626 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 26.9 m -92.05 -40.53 11.03 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.846 ' HB2' HD12 ' B' ' 94' ' ' LEU . 4.5 t -57.45 -44.16 84.52 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.852 0.358 . . . . 0.0 110.804 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.425 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -52.43 -30.89 31.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.056 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -39.67 84.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.3 mt -70.79 -35.29 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.029 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.452 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 18.6 m-85 -76.44 -29.88 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.426 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 36.2 tt0 -58.46 -41.9 86.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.79 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -79.98 -24.32 40.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.682 HD11 HD11 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -67.33 -50.01 61.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 -179.842 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.429 ' CE1' ' HG2' ' B' ' 106' ' ' LYS . 0.6 OUTLIER -63.84 -33.84 76.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.817 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 0.6 OUTLIER -79.85 -30.27 40.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -57.8 -50.04 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.66 73.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 20.6 mt -80.11 -29.55 38.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -78.7 -38.37 39.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.241 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -58.73 -29.51 66.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -59.17 -33.57 71.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.08 101.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.989 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -126.52 35.67 4.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -99.45 122.81 43.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.022 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -154.66 177.66 10.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 1.1 t -102.84 132.09 49.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -105.46 95.62 5.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -70.05 126.31 29.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -96.57 124.58 40.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.003 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -103.36 -178.51 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.5 142.6 45.33 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -74.23 -175.37 2.17 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.6 2.2 . . . . 0.0 112.341 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -160.24 57.95 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.63 145.55 16.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -102.64 -52.37 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 3.0 t0 60.35 166.18 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.05 -52.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 62.8 p -105.34 -176.61 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -156.01 100.32 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.1 mp -90.2 96.25 10.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.39 131.38 53.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.4 -66.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 3.8 t -164.19 -46.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.29 81.18 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . 0.865 ' HG3' HD12 ' B' ' 137' ' ' ILE . 5.5 pt-20 -58.37 -50.21 74.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . 0.865 HD12 ' HG3' ' B' ' 136' ' ' GLU . 2.5 mt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -148.36 79.89 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 6.8 ttp -151.95 80.25 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mmt -116.3 149.94 38.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 p -174.19 104.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -70.44 78.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 tp -90.28 77.01 6.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.431 ' CD1' ' HG3' ' A' ' 32' ' ' GLU . 29.6 t80 -141.24 -45.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.519 HD12 ' H ' ' A' ' 6' ' ' LEU . 5.0 mp -77.14 -18.36 57.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -101.71 31.03 4.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.077 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.13 31.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.815 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.32 164.02 1.18 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.771 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.579 ' HB2' HD12 ' A' ' 13' ' ' LEU . 88.7 Cg_exo -46.36 121.19 4.37 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.593 2.195 . . . . 0.0 112.435 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.51 -29.18 61.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -35.97 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.984 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.579 HD12 ' HB2' ' A' ' 10' ' ' PRO . 4.4 mt -80.03 -41.46 25.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.779 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -53.84 -27.47 30.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.267 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -40.43 88.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.719 ' O ' HG22 ' A' ' 19' ' ' THR . 0.8 OUTLIER -80.11 -28.6 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.132 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.88 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.3 mt -71.7 -47.19 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 111.064 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.18 -38.09 39.38 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.988 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 16' ' ' LYS . 13.3 t -70.09 -32.14 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.699 0.285 . . . . 0.0 111.045 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 16' ' ' LYS . 21.2 t -80.29 -35.9 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 17' ' ' ILE . 11.4 t -57.15 -33.56 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.328 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -31.63 52.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.131 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.683 ' O ' HD12 ' A' ' 24' ' ' LEU . 31.9 t -80.13 -42.31 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.251 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.766 HD23 ' CB ' ' A' ' 27' ' ' SER . 7.9 mp -132.98 68.31 78.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.282 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.14 -18.62 65.92 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.514 2.143 . . . . 0.0 112.236 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -95.9 -39.14 9.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.097 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.766 ' CB ' HD23 ' A' ' 24' ' ' LEU . 1.4 t -59.5 -40.62 87.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.002 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -60.18 -40.73 90.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.661 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -56.79 -27.94 60.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.026 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 27' ' ' SER . 25.9 mt -73.28 -38.76 54.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.459 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 3.6 m-85 -73.01 -29.69 63.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.432 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 6.6 tt0 -57.77 -49.58 76.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.704 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.8 -27.39 63.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -49.97 69.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.947 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.672 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -68.23 -28.09 66.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 1.5 mmmp? -77.85 -46.59 21.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.746 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -64.68 -50.02 68.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.55 -26.11 66.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.227 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -64.27 -30.32 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.9 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -80.04 -45.43 18.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.51 -17.15 60.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.176 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -53.23 -28.83 29.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.76 0.314 . . . . 0.0 111.105 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.7 m -70.76 65.79 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.812 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.35 -168.7 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.08 150.19 34.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -145.19 26.93 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.6 m 56.93 31.93 20.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.973 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.2 151.13 32.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -105.45 163.82 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -88.11 -66.49 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -140.36 106.84 5.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.86 134.07 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.49 156.13 54.47 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.413 2.075 . . . . 0.0 112.326 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -107.68 76.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 pt -64.86 173.38 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.195 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.23 128.06 4.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.38 152.3 27.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.1 -37.25 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.6 m 62.01 -164.47 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.0 t70 69.74 128.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.968 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 61' ' ' LEU . 2.6 mp -132.39 -179.88 5.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.49 -69.37 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.05 58.64 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.76 -37.2 7.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.07 102.47 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.813 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -99.33 35.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.979 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.7 tt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.057 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -112.04 -170.57 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 16.1 ttt -133.2 137.61 46.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 36.4 mtt -128.8 109.96 11.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 73.3 p -152.24 44.49 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.804 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -114.49 113.32 24.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 29.2 mt -118.09 -38.67 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.748 ' O ' HD23 ' B' ' 79' ' ' LEU . 15.8 t80 -65.37 -47.58 75.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' B' ' 84' ' ' SER . 6.1 mt -93.82 19.19 9.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.289 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.43 -36.46 4.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.868 0.366 . . . . 0.0 110.765 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -81.02 -60.67 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.748 HD23 ' O ' ' B' ' 75' ' ' PHE . 1.9 pp -51.25 170.35 0.2 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.474 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.602 ' N ' HD12 ' B' ' 79' ' ' LEU . 92.3 Cg_exo -44.81 93.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.322 2.015 . . . . 0.0 112.297 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -47.45 -28.89 2.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.459 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 70.0 p -68.88 -40.65 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.639 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -30.83 39.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.81 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.469 ' HB3' HD23 ' B' ' 76' ' ' LEU . 0.7 OUTLIER -56.64 -27.79 59.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -59.38 -41.9 90.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.588 ' O ' HG23 ' B' ' 90' ' ' VAL . 12.0 mttp -79.88 -33.95 39.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.629 ' O ' HG23 ' B' ' 91' ' ' VAL . 27.5 mt -70.5 -50.09 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.06 -19.7 57.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.617 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -32.85 39.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.678 0.275 . . . . 0.0 111.312 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 86' ' ' LYS . 11.9 t -80.08 -30.71 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.628 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.644 HG22 ' CD1' ' B' ' 98' ' ' LEU . 21.6 t -54.33 -33.57 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.216 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -55.96 -27.15 51.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.757 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.499 ' CG1' HD11 ' A' ' 24' ' ' LEU . 22.9 t -80.06 -33.44 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.704 ' HB2' HD22 ' A' ' 24' ' ' LEU . 3.3 mt -141.83 69.52 24.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.237 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.29 -17.88 62.18 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.372 2.048 . . . . 0.0 111.414 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -41.4 11.8 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.666 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.698 ' HB2' HD22 ' B' ' 94' ' ' LEU . 3.8 t -58.57 -49.94 75.6 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.917 0.389 . . . . 0.0 110.631 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.644 ' CD1' HG22 ' B' ' 91' ' ' VAL . 0.0 OUTLIER -55.19 -32.91 62.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.042 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -59.09 -42.27 90.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.932 0.396 . . . . 0.0 110.839 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 12.7 mt -68.22 -46.29 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.459 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 42.2 m-85 -64.97 -31.13 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.888 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.42 ' O ' ' CD1' ' B' ' 105' ' ' TYR . 0.6 OUTLIER -57.91 -39.37 77.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.714 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.05 -29.25 39.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.387 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.539 ' O ' HD23 ' B' ' 104' ' ' LEU . 2.7 tt -64.73 -49.19 71.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.789 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.42 ' CD1' ' O ' ' B' ' 102' ' ' GLU . 0.9 OUTLIER -73.79 -16.5 61.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.274 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -50.12 11.3 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.214 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' B' ' 104' ' ' LEU . 1.5 p90 -67.78 -30.76 70.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.26 86.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.55 HD23 ' HG ' ' A' ' 39' ' ' LEU . 1.5 mt -80.06 -35.08 37.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -28.76 67.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -56.97 -30.78 64.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.19 -32.23 73.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 2.9 p -153.85 105.39 2.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -136.59 29.72 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -176.69 108.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.69 -79.8 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 3.9 p 49.22 30.0 2.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.21 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -113.88 167.16 10.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -169.73 -42.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.24 156.91 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -95.59 144.32 26.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.992 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 162.62 32.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.98 93.37 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.558 2.172 . . . . 0.0 112.334 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.97 101.11 11.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.61 120.11 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.009 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -65.74 173.94 2.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.72 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.951 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 59.0 p -67.86 71.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.025 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 1.4 m 54.8 -177.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -138.24 161.44 36.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 1.1 mp -132.38 -177.0 4.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 11.1 tp 61.68 159.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.49 157.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.29 -177.33 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -178.81 -38.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 43.68 88.63 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.528 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.087 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.593 -0.203 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -107.75 108.56 19.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.4 tpp -107.72 -170.78 1.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 ttt -83.07 164.95 19.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.994 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -72.25 105.74 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -126.25 173.89 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 mt 60.49 33.61 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -151.51 -58.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.738 HD23 ' HB2' ' A' ' 14' ' ' SER . 4.2 mp -70.37 -11.64 61.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.404 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.26 -26.95 42.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.729 0.299 . . . . 0.0 110.952 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.67 -70.38 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.993 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.671 HD11 ' HA ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -58.15 162.15 6.17 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.018 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.8 146.76 10.95 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -74.36 -29.12 61.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.069 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -56.55 -41.92 77.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mt -80.08 -40.53 27.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.738 ' HB2' HD23 ' A' ' 6' ' ' LEU . 60.0 p -54.67 -24.64 22.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.42 -49.88 69.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -76.34 -29.79 57.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.833 ' O ' HG23 ' A' ' 21' ' ' VAL . 42.1 mt -76.58 -50.21 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.713 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.83 -21.02 54.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.218 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -47.26 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.603 HG11 ' CB ' ' B' ' 97' ' ' SER . 8.1 t -80.1 -35.61 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.193 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.983 HG11 HD12 ' A' ' 28' ' ' LEU . 87.2 t -56.01 -30.67 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.801 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -53.98 -30.85 48.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.421 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.637 HG12 ' CD2' ' A' ' 24' ' ' LEU . 83.3 t -73.88 -48.28 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.642 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.999 HD23 HD13 ' B' ' 94' ' ' LEU . 3.9 mm? -121.48 67.45 19.58 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.86 -18.94 65.95 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.41 2.073 . . . . 0.0 111.658 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -90.26 -40.85 11.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.8 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.794 ' HB3' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -61.49 -31.52 71.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.873 0.368 . . . . 0.0 110.546 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.983 HD12 HG11 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -56.71 -38.63 72.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -53.2 -39.14 63.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.502 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.523 HD12 ' H ' ' A' ' 30' ' ' ILE . 4.8 mp -72.72 -34.29 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.08 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -71.93 -44.37 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 8.7 pt-20 -56.76 -41.99 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.353 . . . . 0.0 110.731 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -29.35 60.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.557 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.523 ' O ' HD23 ' A' ' 34' ' ' LEU . 2.5 tt -63.06 -50.01 72.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.444 ' CZ ' ' HG2' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -69.43 -30.91 68.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -74.38 -32.54 62.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.776 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -68.98 -42.51 76.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.92 -28.5 55.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.346 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.656 HD11 ' HB1' ' B' ' 108' ' ' ALA . 1.8 mt -58.54 -35.36 72.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -75.64 -29.64 59.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.88 -32.22 69.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -76.58 -32.95 58.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.69 148.55 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -115.94 31.72 6.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -131.61 174.18 10.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.01 -67.67 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.5 t 60.82 93.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -117.15 85.63 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -78.47 155.01 30.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -177.45 97.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.8 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.58 126.27 49.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp 58.35 88.97 0.11 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.011 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.05 167.6 25.63 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.578 2.185 . . . . 0.0 112.308 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 60.57 34.66 20.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.28 136.54 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.086 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -165.43 119.73 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 59.91 -178.17 0.09 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.31 166.51 12.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.84 142.73 38.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.34 -45.34 63.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mp -75.53 -175.18 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.434 ' H ' HD12 ' A' ' 62' ' ' LEU . 2.9 mp -92.3 165.43 13.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -134.3 129.53 35.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -82.09 80.71 8.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -128.71 -176.69 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -135.67 -67.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.7 pt . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.251 -0.88 . . . . 0.0 111.129 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 112.541 -0.223 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.09 -169.1 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -77.68 160.22 28.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 82.2 mmm 62.68 -79.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.063 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 26.5 t 60.53 79.75 0.23 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -85.69 99.88 11.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.88 89.33 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -170.25 -45.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.18 -28.33 67.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -36.43 83.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.07 -66.22 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.818 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.594 HD12 ' N ' ' B' ' 80' ' ' PRO . 2.0 pp -49.34 170.6 0.14 Allowed Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.66 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.594 ' N ' HD12 ' B' ' 79' ' ' LEU . 85.1 Cg_exo -45.55 93.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.34 2.027 . . . . 0.0 112.348 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -50.79 -27.59 7.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.325 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.3 m -60.66 -47.04 88.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.661 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.468 HD22 HD11 ' B' ' 87' ' ' ILE . 0.4 OUTLIER -80.13 -37.46 33.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.76 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.402 ' OG ' HD11 ' B' ' 79' ' ' LEU . 0.6 OUTLIER -53.8 -25.03 17.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -59.98 -43.11 95.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.747 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.622 ' O ' HG22 ' B' ' 89' ' ' THR . 0.1 OUTLIER -80.13 -33.99 38.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.781 ' O ' HG23 ' B' ' 91' ' ' VAL . 29.6 mt -73.47 -29.24 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.45 -35.95 91.98 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.999 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.622 HG22 ' O ' ' B' ' 86' ' ' LYS . 6.9 t -71.71 -35.79 70.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.692 0.246 . . . . 0.0 111.18 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 27' ' ' SER . 14.7 p -80.33 -42.26 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 0.0 111.185 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.781 HG23 ' O ' ' B' ' 87' ' ' ILE . 73.2 t -58.79 -29.8 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.727 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -51.15 -35.07 33.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.137 0.494 . . . . 0.0 110.276 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.547 HG12 HD21 ' A' ' 24' ' ' LEU . 49.1 t -80.18 -26.39 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.63 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.999 HD13 HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -134.18 63.29 60.89 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.056 -179.773 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' B' ' 94' ' ' LEU . 5.4 Cg_exo -78.57 -47.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.793 2.329 . . . . 0.0 112.012 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 47.1 t -62.1 -30.82 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.603 ' CB ' HG11 ' A' ' 20' ' ' VAL . 22.9 t -74.28 -33.37 63.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.108 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.674 HD12 HG11 ' B' ' 91' ' ' VAL . 0.4 OUTLIER -44.91 -39.38 5.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.474 -179.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -27.22 25.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.1 mt -78.17 -39.79 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -74.14 -31.75 62.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.446 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 23.2 tt0 -59.23 -47.29 85.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.709 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.87 -23.85 59.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.689 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 2.4 tt -68.54 -48.27 64.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.446 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.5 p90 -66.45 -34.95 79.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.859 0.362 . . . . 0.0 110.938 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.411 ' HD3' ' CE1' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -71.82 -30.12 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.787 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -60.84 -50.15 74.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.656 ' HB1' HD11 ' A' ' 39' ' ' LEU . . . -64.74 -45.1 87.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.221 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -61.1 -42.18 98.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -60.77 -31.4 70.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -31.4 69.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -66.98 -24.87 66.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.63 167.46 0.35 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.089 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 61.63 72.96 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -171.51 123.23 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -69.47 102.15 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 52.8 p -173.63 113.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.32 104.02 8.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.12 135.9 14.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -119.2 -42.62 2.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.11 166.17 23.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -68.72 145.68 97.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.39 126.8 11.28 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.507 2.138 . . . . 0.0 112.387 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.68 168.01 12.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 4.3 tt -168.33 140.29 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -71.1 163.46 27.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.05 131.99 52.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 48.4 p -155.59 168.75 26.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.97 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 8.7 t 60.22 91.5 0.05 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -126.08 -61.88 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.603 HD23 ' H ' ' B' ' 132' ' ' LEU . 0.2 OUTLIER -112.22 160.92 17.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.603 ' H ' HD23 ' B' ' 131' ' ' LEU . 48.0 tp -162.5 152.24 16.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.99 153.88 39.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 1.7 t -136.21 79.41 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -62.49 -38.94 91.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -132.93 -64.89 0.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.054 -179.917 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -119.28 66.83 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.7 mmm -132.24 68.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.66 61.43 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.6 p -71.72 151.87 43.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 5' ' ' PHE . 27.2 mmtt -90.23 -179.62 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.1 48.59 2.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.459 ' CZ ' ' CD1' ' A' ' 6' ' ' LEU . 52.1 p90 -116.59 -35.64 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.976 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.459 ' CD1' ' CZ ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -60.62 -36.93 79.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -58.96 -51.61 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -61.22 -30.82 70.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.535 HD21 ' CB ' ' B' ' 104' ' ' LEU . 7.8 mt -79.71 155.15 75.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -56.86 -162.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.635 2.224 . . . . 0.0 112.373 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.98 -35.04 8.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -75.28 -31.47 60.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.07 -32.93 65.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 p -59.26 -22.49 61.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -79.86 -50.12 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.138 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -65.87 -33.88 76.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.135 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.913 ' O ' HG23 ' A' ' 21' ' ' VAL . 48.5 mt -70.84 -49.49 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.811 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.57 -19.47 58.05 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.71 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -38.96 41.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.916 0.389 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.506 HG11 ' OG ' ' B' ' 97' ' ' SER . 21.4 t -80.12 -30.04 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.26 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 17' ' ' ILE . 49.9 t -59.0 -38.45 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.265 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -32.67 9.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.941 0.4 . . . . 0.0 111.06 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.673 ' O ' HD22 ' A' ' 24' ' ' LEU . 21.5 t -80.32 -41.04 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.467 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.805 HD12 ' OG ' ' A' ' 27' ' ' SER . 4.3 mm? -125.86 71.52 68.12 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 111.574 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.16 -17.55 54.87 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.331 2.021 . . . . 0.0 111.172 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -88.63 -40.92 12.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.606 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.805 ' OG ' HD12 ' A' ' 24' ' ' LEU . 11.1 m -59.57 -47.05 87.08 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.949 0.404 . . . . 0.0 110.46 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.752 HD12 HG11 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -42.17 -48.9 4.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.524 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.14 -35.09 72.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mm -72.73 -46.62 53.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.685 ' CZ ' HG22 ' B' ' 91' ' ' VAL . 23.0 m-85 -69.79 -40.91 75.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 1.3 tm-20 -58.86 -41.37 86.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.98 0.419 . . . . 0.0 110.645 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.07 -26.52 53.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.686 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.527 ' CD1' HD13 ' B' ' 87' ' ' ILE . 0.6 OUTLIER -65.5 -50.06 66.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.482 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.3 p90 -64.05 -29.91 71.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 2.8 mmtp -76.28 -36.77 58.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.767 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -59.71 -50.05 75.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.736 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -26.19 68.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.253 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -80.0 -30.13 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -80.05 -42.24 24.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.214 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -19.43 52.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.398 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -51.85 -30.54 24.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.794 0.33 . . . . 0.0 111.097 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 t -113.58 32.17 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -119.31 162.96 17.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 t70 64.92 163.39 0.14 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.2 176.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.87 -76.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -165.32 146.91 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -100.95 -178.82 3.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.44 143.96 35.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mttp 61.82 165.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -108.73 146.98 34.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.1 58.75 5.69 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.585 2.19 . . . . 0.0 112.319 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 57.27 90.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.5 tp -103.07 -31.87 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.05 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.63 134.9 49.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -151.33 124.8 8.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.64 -66.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.26 92.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.803 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -135.51 84.86 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.8 mp 61.14 155.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.79 -70.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.88 159.12 15.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.2 m -106.37 82.62 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.27 -67.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.26 -175.7 0.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.158 179.874 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -110.62 -33.22 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.801 0.334 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.6 ttp 61.7 96.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 4.9 mmt -107.81 -178.76 3.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.971 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.8 p -74.68 81.94 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -169.75 113.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 mp -138.15 107.12 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.477 ' O ' HD12 ' B' ' 79' ' ' LEU . 14.7 t80 -173.92 -44.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 4.9 mp -91.9 -30.46 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -30.24 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -86.34 -42.66 13.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.803 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.477 HD12 ' O ' ' B' ' 75' ' ' PHE . 3.6 mt -53.14 167.67 0.41 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.657 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.465 ' HB2' HD23 ' B' ' 83' ' ' LEU . 90.9 Cg_exo -43.52 95.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.408 2.072 . . . . 0.0 112.2 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.17 -27.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.643 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 16.5 t -67.55 -50.65 57.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.728 0.299 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.509 ' C ' HD12 ' B' ' 83' ' ' LEU . 0.9 OUTLIER -80.63 -39.47 27.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.934 179.698 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 70.8 m -52.91 -24.92 10.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -44.33 89.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.043 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.758 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -66.42 -40.12 89.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.865 0.364 . . . . 0.0 110.819 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.759 ' O ' HG23 ' B' ' 91' ' ' VAL . 21.7 mt -74.93 -28.22 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.76 -26.32 74.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.656 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.758 HG22 ' O ' ' B' ' 86' ' ' LYS . 12.0 t -79.63 -34.87 40.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.686 0.279 . . . . 0.0 111.049 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.45 HG13 ' N ' ' B' ' 91' ' ' VAL . 12.5 p -80.41 -44.2 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.119 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 1.059 HG11 HD12 ' B' ' 98' ' ' LEU . 58.6 t -62.27 -33.71 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.52 -29.29 4.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.942 0.401 . . . . 0.0 110.574 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 85.9 t -80.05 -49.88 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.701 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.705 HD23 ' CB ' ' B' ' 97' ' ' SER . 1.1 mp -111.46 71.94 0.92 Allowed Pre-proline 0 N--CA 1.453 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.261 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.66 -24.21 22.05 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.486 2.124 . . . . 0.0 111.752 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.03 -33.86 22.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.744 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.705 ' CB ' HD23 ' B' ' 94' ' ' LEU . 21.2 t -65.37 -43.34 91.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.0 110.689 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 1.059 HD12 HG11 ' B' ' 91' ' ' VAL . 0.3 OUTLIER -53.07 -36.53 60.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.11 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.28 -31.81 63.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.445 ' CD1' HG21 ' A' ' 20' ' ' VAL . 26.5 mt -68.98 -39.33 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -72.7 -30.04 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -59.77 -36.2 76.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -50.19 59.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.594 HD12 ' N ' ' B' ' 105' ' ' TYR . 4.3 pp -69.83 -25.63 63.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.87 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.594 ' N ' HD12 ' B' ' 104' ' ' LEU . 0.8 OUTLIER -53.97 -50.03 67.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -78.37 -33.11 49.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -60.89 -49.99 75.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.0 -29.4 70.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.267 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.92 -35.17 74.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.938 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.96 -28.74 39.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.03 -21.41 45.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.289 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -53.34 -41.9 66.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.811 0.339 . . . . 0.0 111.191 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 1.1 m 179.71 -175.77 0.29 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -105.39 -179.03 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -107.29 39.86 1.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.61 162.39 27.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.77 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.82 140.8 16.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.808 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.67 31.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -93.88 108.47 20.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -131.09 149.8 52.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -140.18 32.29 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -119.62 95.4 49.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.94 119.0 6.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.391 2.061 . . . . 0.0 112.218 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.08 101.92 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 23.9 mt -137.21 -46.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.186 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 1.5 t70 60.7 32.24 20.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -78.29 131.04 36.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 23.0 t -105.52 179.48 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 2.4 p -88.66 -40.4 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 62.61 146.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.427 ' O ' HD12 ' B' ' 132' ' ' LEU . 0.4 OUTLIER 59.32 29.12 18.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.427 HD12 ' O ' ' B' ' 131' ' ' LEU . 0.1 OUTLIER -159.36 147.36 17.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -122.46 -44.73 2.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 4.8 m -107.59 98.6 8.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -120.56 141.45 50.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -139.5 79.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 7.6 tt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.055 179.913 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -172.63 -41.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.377 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.4 ttt -131.72 129.08 40.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.24 150.46 12.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.71 102.34 4.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -154.52 33.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -93.44 -33.83 13.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -59.86 -25.05 64.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.611 HD23 HD21 ' A' ' 9' ' ' LEU . 12.3 mt -85.57 -25.16 26.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.065 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.32 -32.65 68.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.961 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.05 -42.57 90.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.611 HD21 HD23 ' A' ' 6' ' ' LEU . 4.1 pp -81.82 156.79 69.93 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.679 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.7 137.98 26.1 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.9 2.4 . . . . 0.0 112.299 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -29.83 70.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.047 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.69 -49.61 72.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 mt -80.07 -34.47 38.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.519 ' CB ' HD11 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -53.99 -29.24 42.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -37.74 85.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -79.89 -34.45 39.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.92 ' O ' HG23 ' A' ' 21' ' ' VAL . 37.3 mt -70.84 -50.0 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.6 -19.28 54.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.447 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -39.33 30.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 110.984 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 16' ' ' LYS . 11.5 t -80.0 -28.67 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.354 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.7 t -54.71 -30.69 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.155 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -57.99 -28.43 64.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.686 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.539 ' O ' HD12 ' A' ' 24' ' ' LEU . 35.0 t -80.0 -39.72 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.987 HD13 HD13 ' B' ' 94' ' ' LEU . 4.7 mp -131.77 69.58 81.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.278 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.43 -28.15 54.38 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.671 2.247 . . . . 0.0 111.841 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -84.12 -37.93 21.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.828 ' CB ' HD23 ' A' ' 24' ' ' LEU . 1.2 t -58.68 -43.3 89.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.794 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.476 HD12 ' CG1' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -46.46 -43.49 16.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.344 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.95 -29.92 31.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.02 -45.04 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -72.29 -35.57 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.786 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.43 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -60.87 -40.68 93.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.645 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -80.11 -24.56 40.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.645 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.23 -49.25 65.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.034 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.43 ' CD2' ' O ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -63.5 -38.24 90.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.826 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -32.07 73.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.771 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -70.65 -49.96 41.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.74 -29.29 62.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.212 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.8 mt -59.34 -34.08 71.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -69.78 -29.36 66.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.41 -22.23 41.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.157 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -53.81 -29.83 42.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.002 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.6 p -89.96 161.22 16.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.814 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 m120 61.28 113.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.78 131.13 56.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.948 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.93 -46.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -98.88 36.05 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -127.76 79.37 1.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -139.85 19.67 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.6 m80 52.86 -169.23 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.853 0.359 . . . . 0.0 111.067 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 mttm 64.06 134.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.0 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.8 80.5 0.27 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -87.18 32.52 0.43 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.876 2.384 . . . . 0.0 112.849 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -176.97 161.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 mp -103.04 135.45 40.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.14 -169.02 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.81 120.51 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.0 172.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 t -96.42 -28.22 14.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.5 -165.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.42 34.76 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.22 80.13 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.747 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -87.55 79.08 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.4 m -112.14 144.97 40.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.62 104.49 16.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -160.54 -61.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.089 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -111.77 -71.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.332 . . . . 0.0 110.827 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 1.6 mpt? 60.87 111.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.41 -28.23 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.0 m 63.67 126.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.92 -19.33 13.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.253 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.71 92.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.903 0.383 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -136.39 -46.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.815 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' B' ' 84' ' ' SER . 6.7 mp -74.14 -30.11 62.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.941 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -44.35 96.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.983 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -68.83 -67.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.58 HD12 ' N ' ' B' ' 80' ' ' PRO . 1.8 pp -50.56 170.24 0.19 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.605 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.58 ' N ' HD12 ' B' ' 79' ' ' LEU . 84.4 Cg_exo -47.12 92.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.34 2.027 . . . . 0.0 112.283 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -53.66 -26.81 24.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.232 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -61.18 -47.7 84.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.788 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -80.05 -29.51 39.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.53 ' HA ' HD12 ' B' ' 87' ' ' ILE . 3.2 m -52.37 -28.58 20.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.187 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -59.27 -43.96 92.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.668 ' O ' HG22 ' B' ' 89' ' ' THR . 1.4 mptt -80.07 -28.41 39.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.915 ' O ' HG23 ' B' ' 91' ' ' VAL . 26.5 mt -74.01 -43.77 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.41 -38.43 62.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.826 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.668 HG22 ' O ' ' B' ' 86' ' ' LYS . 10.3 t -68.64 -33.83 74.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.956 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 86' ' ' LYS . 22.1 t -80.23 -40.61 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.915 HG23 ' O ' ' B' ' 87' ' ' ILE . 25.1 t -57.59 -32.54 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -29.8 42.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.56 ' O ' HD12 ' B' ' 94' ' ' LEU . 47.0 t -78.35 -40.0 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.986 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.987 HD13 HD13 ' A' ' 24' ' ' LEU . 5.6 mp -130.43 70.7 82.4 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.193 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.25 -32.09 34.12 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.731 2.287 . . . . 0.0 111.77 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -80.38 -35.47 35.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.799 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.605 ' CB ' HD23 ' B' ' 94' ' ' LEU . 1.3 t -60.31 -47.03 87.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.822 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.74 HD12 ' O ' ' B' ' 98' ' ' LEU . 0.7 OUTLIER -58.15 -33.97 69.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.771 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -56.0 -32.9 64.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.506 HG21 HG12 ' A' ' 17' ' ' ILE . 17.9 mt -73.63 -40.29 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.427 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 97.7 m-85 -70.35 -28.25 64.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.436 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 3.2 mt-10 -60.07 -49.93 75.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.791 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.92 -30.51 62.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.873 HD22 ' O ' ' B' ' 104' ' ' LEU . 0.0 OUTLIER -62.84 -43.19 99.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.448 179.725 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.771 ' N ' HD13 ' B' ' 104' ' ' LEU . 0.5 OUTLIER -80.0 -17.88 51.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.047 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.41 -50.1 68.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.185 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' B' ' 104' ' ' LEU . 6.0 p90 -77.93 -28.8 49.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.741 0.305 . . . . 0.0 111.086 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.91 -29.28 59.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.219 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 mt -72.64 -45.38 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -60.11 -29.45 68.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.18 -31.19 67.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -66.18 -31.72 72.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 1.2 t -92.23 79.06 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.21 -178.32 5.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -161.08 159.07 28.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -152.81 78.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.4 t -80.15 -44.46 19.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -143.34 170.72 15.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -84.03 -178.22 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -127.11 -57.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.008 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt 59.82 159.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -157.6 85.52 2.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.12 105.77 1.77 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.561 2.174 . . . . 0.0 112.222 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 61.32 166.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.49 145.81 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.84 31.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.32 121.98 28.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.823 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 68.2 m -116.99 -72.5 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 39.6 m 60.47 105.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -111.94 -67.84 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.45 171.58 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.539 HD23 ' OG1' ' B' ' 134' ' ' THR . 9.1 tp -60.31 137.8 58.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.66 67.55 0.56 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . 0.539 ' OG1' HD23 ' B' ' 132' ' ' LEU . 0.2 OUTLIER -132.75 152.02 51.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 60.29 162.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -120.42 157.45 29.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . 0.729 ' O ' HD12 ' B' ' 137' ' ' ILE . 2.7 pp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -127.89 35.61 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.84 0.352 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.2 ttt -64.41 153.26 39.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.471 ' HG2' HD11 ' A' ' 4' ' ' LEU . 4.8 tpp -136.99 155.51 49.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -114.46 90.79 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.7 mttp 62.17 147.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.471 HD11 ' HG2' ' A' ' 1' ' ' MET . 11.0 mt -148.06 -78.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.726 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.76 ' HZ ' HD21 ' A' ' 28' ' ' LEU . 3.5 p90 -74.27 -13.21 60.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.07 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.95 -31.02 44.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.51 -41.93 91.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -28.97 67.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.775 HD11 HD21 ' B' ' 104' ' ' LEU . 35.7 mt -80.54 157.62 72.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -61.75 -166.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.697 2.264 . . . . 0.0 112.184 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.52 -41.82 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 t -59.69 -48.44 81.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.99 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.882 HD22 HD11 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -71.74 -44.72 63.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.445 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.6 m -57.22 -26.16 60.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.129 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -71.63 -41.83 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.03 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' O ' HG22 ' A' ' 19' ' ' THR . 7.7 ptpt -73.86 -26.65 60.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.109 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.882 HD11 HD22 ' A' ' 13' ' ' LEU . 22.2 mt -78.95 -30.91 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.7 -26.2 74.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.596 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 16' ' ' LYS . 6.2 t -79.68 -35.6 38.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.322 . . . . 0.0 111.016 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 21' ' ' VAL . 13.1 p -80.09 -43.6 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 17' ' ' ILE . 92.3 t -60.18 -29.93 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.0 ttp85 -55.28 -34.02 63.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.5 t -80.11 -50.04 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.317 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.897 HD12 ' CB ' ' A' ' 27' ' ' SER . 1.6 mm? -114.8 66.16 1.78 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.287 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.11 -13.13 33.42 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.453 2.102 . . . . 0.0 111.916 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.98 -40.07 10.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.897 ' CB ' HD12 ' A' ' 24' ' ' LEU . 7.8 t -66.62 -32.01 73.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.943 0.402 . . . . 0.0 110.561 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.76 HD21 ' HZ ' ' A' ' 5' ' ' PHE . 0.3 OUTLIER -55.57 -43.35 75.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.765 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -52.41 -30.63 30.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.9 mm -66.59 -42.78 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.808 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -77.15 -31.28 55.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.795 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.438 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 37.7 tt0 -58.47 -50.09 74.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.593 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -71.09 -23.59 62.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.46 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 34' ' ' LEU . 1.6 tt -67.68 -50.07 59.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.973 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.438 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.5 p90 -66.24 -36.83 84.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.753 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HG2' ' CE1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -61.97 -46.47 89.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.025 0.441 . . . . 0.0 110.687 179.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.03 -42.72 99.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.802 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' HA ' ' CG ' ' A' ' 41' ' ' GLU . . . -57.95 -21.18 42.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.513 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.659 HD22 ' CG ' ' B' ' 112' ' ' ASN . 87.4 mt -74.24 -44.91 51.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.773 0.32 . . . . 0.0 111.003 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.95 -40.56 95.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.982 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.405 ' CG ' ' HA ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -80.1 -19.81 46.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.165 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -55.36 -34.07 63.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.787 0.327 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -174.55 101.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -177.21 -39.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.16 154.26 18.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.933 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -155.79 -46.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -158.72 -65.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.979 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -144.63 -175.09 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 63.81 109.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.29 -63.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.78 125.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.09 76.98 2.13 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.54 170.36 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.461 2.107 . . . . 0.0 112.174 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.45 164.92 2.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.066 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.0 mt 55.33 -89.33 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.288 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 175.92 -71.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.834 0.35 . . . . 0.0 110.798 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -151.99 105.27 3.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 t -126.87 -51.99 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.7 t -80.65 163.89 23.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -113.59 148.62 35.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.621 HD13 HG21 ' A' ' 64' ' ' THR . 40.6 mt -90.48 -76.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 58.19 94.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt 60.32 66.87 0.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.814 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.621 HG21 HD13 ' A' ' 61' ' ' LEU . 6.5 t -104.09 155.97 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.819 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -61.8 104.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -148.0 123.77 10.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.6 tt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.192 -0.908 . . . . 0.0 111.137 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -37.45 56.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 5.3 mtp -102.78 154.4 19.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.14 -46.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.4 p -114.11 88.66 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -88.71 96.5 10.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.778 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.54 153.71 17.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.066 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.436 ' CG ' ' O ' ' B' ' 75' ' ' PHE . 76.9 t80 63.19 16.62 9.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.339 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mt -151.89 27.15 0.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.012 0.434 . . . . 0.0 110.59 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.44 -45.91 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.279 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.09 -61.57 2.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.53 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.483 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 0.2 OUTLIER -55.7 166.05 1.11 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.418 179.448 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 93.8 Cg_exo -42.73 91.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.597 2.198 . . . . 0.0 112.47 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' B' ' 79' ' ' LEU . 1.6 tp10 -53.62 -25.04 15.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.354 -179.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.83 -39.61 74.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.934 0.397 . . . . 0.0 110.776 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.04 -34.74 38.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.914 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.801 ' HA ' HD12 ' B' ' 87' ' ' ILE . 51.6 m -51.96 -26.94 11.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.211 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -58.64 -44.84 90.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.815 ' O ' HG22 ' B' ' 89' ' ' THR . 28.8 mtmt -80.02 -28.25 39.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.995 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.872 ' O ' HG23 ' B' ' 91' ' ' VAL . 27.9 mt -69.23 -33.98 60.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.25 -35.81 86.16 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.642 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.815 HG22 ' O ' ' B' ' 86' ' ' LYS . 15.1 t -74.78 -30.52 61.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 110.967 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 86' ' ' LYS . 21.5 t -80.28 -46.05 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 87' ' ' ILE . 24.8 t -59.48 -34.42 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.147 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.49 -35.17 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 25.5 t -80.11 -46.33 22.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.157 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.914 HD12 ' CB ' ' B' ' 97' ' ' SER . 3.1 mm? -117.3 69.89 5.72 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.279 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.59 -5.07 16.1 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.423 2.082 . . . . 0.0 112.269 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -109.28 -36.98 5.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.167 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.914 ' CB ' HD12 ' B' ' 94' ' ' LEU . 9.7 t -64.32 -33.05 74.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.727 0.298 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.488 HD12 HG13 ' B' ' 91' ' ' VAL . 0.5 OUTLIER -53.12 -33.02 50.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.067 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -56.16 -40.02 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 40.0 mt -71.22 -36.53 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -75.71 -29.59 59.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.408 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 2.3 mt-10 -56.81 -45.8 82.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.747 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -76.22 -25.73 55.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.655 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.775 HD21 HD11 ' A' ' 9' ' ' LEU . 1.4 tt -65.84 -49.93 66.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.44 ' CZ ' ' HG2' ' B' ' 106' ' ' LYS . 0.6 OUTLIER -69.51 -35.79 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.759 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.451 ' HA ' HD12 ' B' ' 109' ' ' LEU . 0.1 OUTLIER -72.6 -38.38 67.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.8 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -59.1 -45.5 90.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.26 -24.25 63.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.198 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 106' ' ' LYS . 28.7 mt -71.69 -29.49 64.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.019 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -70.42 -36.86 74.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.031 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.64 -27.32 60.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.988 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . 0.659 ' CG ' HD22 ' A' ' 39' ' ' LEU . 5.7 t30 -72.84 -28.12 62.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.94 30.86 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.09 89.03 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -81.57 110.11 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.35 156.87 14.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.806 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.81 95.24 2.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -171.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -143.39 123.1 13.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -131.35 -178.05 4.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -163.07 149.43 12.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.6 141.9 0.54 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -73.74 172.74 15.21 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.496 2.131 . . . . 0.0 112.343 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -140.12 63.27 1.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.567 HD13 ' C ' ' B' ' 125' ' ' ILE . 0.0 OUTLIER -126.3 119.41 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.061 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.516 ' N ' HD13 ' B' ' 125' ' ' ILE . 0.4 OUTLIER -121.41 129.68 53.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -160.7 102.0 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 8.2 t -105.89 -59.16 1.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.62 179.8 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -164.92 104.24 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 2.8 mt -85.88 156.6 20.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.603 HD23 ' H ' ' B' ' 133' ' ' LYS . 0.2 OUTLIER 60.34 161.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . 0.603 ' H ' HD23 ' B' ' 132' ' ' LEU . 0.0 OUTLIER -157.14 -47.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.25 84.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -82.5 128.29 34.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -135.22 140.83 45.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.046 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -139.06 160.22 40.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.22 99.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ttm -90.3 141.33 28.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -127.17 179.6 5.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.831 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -107.17 108.49 19.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.761 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -135.07 5.94 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.528 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -81.92 -57.18 3.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.878 0.371 . . . . 0.0 110.769 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.552 ' HA ' HD12 ' A' ' 9' ' ' LEU . 4.9 mp -85.02 -29.97 24.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -57.5 -26.82 61.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -97.6 31.13 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.615 HD21 HD21 ' B' ' 104' ' ' LEU . 48.8 mt -138.25 159.26 68.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.65 -172.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.552 2.168 . . . . 0.0 112.342 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -32.29 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t -75.06 -43.04 55.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.7 mm? -62.9 -49.08 76.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.517 ' HA ' HD23 ' A' ' 6' ' ' LEU . 23.4 t -54.24 -25.48 23.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -79.06 -45.94 19.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.107 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.513 ' O ' HG22 ' A' ' 19' ' ' THR . 1.3 mppp? -75.62 -34.86 60.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.949 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.819 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.8 mt -80.04 -44.43 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.812 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.03 -25.53 64.4 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.745 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 16' ' ' LYS . 10.2 t -80.07 -38.27 32.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.692 0.282 . . . . 0.0 111.019 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.569 HG21 ' OG ' ' B' ' 97' ' ' SER . 13.0 p -80.2 -40.01 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.251 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 17' ' ' ILE . 99.4 t -54.94 -29.08 21.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.14 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -31.51 63.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.794 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.5 t -80.22 -50.18 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.182 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.797 HD23 ' CB ' ' A' ' 27' ' ' SER . 1.6 mp -114.82 72.47 2.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.265 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.641 ' HA ' HD23 ' A' ' 28' ' ' LEU . 73.0 Cg_endo -75.83 -20.08 15.59 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.578 2.185 . . . . 0.0 112.144 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.19 -37.34 12.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.797 ' CB ' HD23 ' A' ' 24' ' ' LEU . 3.8 t -60.52 -38.91 85.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.856 0.36 . . . . 0.0 110.685 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.641 HD23 ' HA ' ' A' ' 25' ' ' PRO . 3.7 pp -54.11 -29.0 43.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.018 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -57.13 -43.56 82.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.789 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.567 HD12 ' H ' ' A' ' 30' ' ' ILE . 4.0 mp -68.26 -31.32 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.792 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -78.83 -27.57 44.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.41 -50.11 74.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.816 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.24 -50.04 74.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.465 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.903 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -65.68 -37.93 87.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.875 179.279 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.77 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -62.11 -44.81 95.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.419 179.459 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -79.35 -29.94 42.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.88 -50.02 75.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.5 ' O ' HD21 ' B' ' 109' ' ' LEU . . . -62.54 -27.95 69.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.78 -29.46 65.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -27.85 69.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.21 -32.26 64.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.939 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -78.17 -42.11 32.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.67 104.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -94.04 147.12 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -135.16 115.29 13.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.033 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.45 -176.69 0.09 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.4 t -150.08 -47.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -109.5 80.4 1.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -69.98 -41.84 73.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 60.72 73.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -152.73 161.58 42.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.57 140.56 21.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.51 152.77 25.57 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.422 2.081 . . . . 0.0 112.284 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -71.38 156.36 39.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 tp -130.91 147.66 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -69.84 110.13 4.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.51 151.81 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.4 m -123.57 31.66 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.6 m -121.14 32.06 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -129.66 -46.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mt -130.63 -175.82 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.4 80.74 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -92.78 -62.02 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.4 t -134.0 157.65 45.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.03 173.11 12.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.44 35.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.8 tt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.077 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -149.53 -50.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.742 0.306 . . . . 0.0 110.791 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.95 173.66 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -100.28 31.05 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.72 159.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.41 78.7 1.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mt -104.87 112.94 26.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.441 ' CE2' ' HG ' ' B' ' 76' ' ' LEU . 2.0 p90 -177.16 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.441 ' HG ' ' CE2' ' B' ' 75' ' ' PHE . 3.9 mt -69.22 -17.51 63.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.176 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -84.02 3.52 34.05 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.572 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -127.82 -55.43 1.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.792 0.33 . . . . 0.0 110.825 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.491 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 3.8 pp -51.25 163.85 0.51 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.682 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.572 ' HB2' HD12 ' B' ' 83' ' ' LEU . 88.4 Cg_exo -42.45 94.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.556 2.17 . . . . 0.0 112.499 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -51.41 -25.94 7.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.328 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -55.73 -44.61 77.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.937 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' B' ' 80' ' ' PRO . 5.4 mt -80.13 -29.62 38.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.94 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.407 ' OG ' HD11 ' B' ' 79' ' ' LEU . 70.9 m -54.65 -29.46 52.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.16 -45.57 92.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.706 ' O ' HG22 ' B' ' 89' ' ' THR . 11.3 mttt -79.95 -37.7 33.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.885 ' O ' HG23 ' B' ' 91' ' ' VAL . 16.6 mt -66.21 -45.16 90.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.28 -49.27 25.68 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.049 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.706 HG22 ' O ' ' B' ' 86' ' ' LYS . 4.8 t -59.57 -33.6 71.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.326 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 86' ' ' LYS . 21.9 t -80.29 -42.04 21.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.224 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.885 HG23 ' O ' ' B' ' 87' ' ' ILE . 11.3 t -59.06 -36.62 63.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.244 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -28.85 9.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 32.0 t -80.13 -48.48 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.046 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.945 HD12 ' HB2' ' B' ' 97' ' ' SER . 3.5 mm? -117.78 69.2 6.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.97 -7.54 20.85 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.452 2.101 . . . . 0.0 112.162 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.6 p -104.25 -36.8 7.51 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.945 ' HB2' HD12 ' B' ' 94' ' ' LEU . 42.4 t -64.43 -38.44 91.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.884 0.373 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.851 HD12 HG13 ' B' ' 91' ' ' VAL . 1.2 tt -54.92 -30.9 59.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.268 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.67 -35.31 72.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 9.2 mt -66.4 -47.26 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.036 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -66.75 -26.98 67.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' B' ' 105' ' ' TYR . 10.1 tt0 -56.89 -46.69 81.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.397 . . . . 0.0 110.738 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -15.5 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.006 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.615 HD21 HD21 ' A' ' 9' ' ' LEU . 2.2 tt -74.8 -50.01 18.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.092 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' B' ' 102' ' ' GLU . 0.5 OUTLIER -60.2 -39.87 88.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.925 0.393 . . . . 0.0 110.872 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -70.73 -30.7 67.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.7 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -71.27 -49.96 37.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.808 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.51 -37.34 78.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 38' ' ' ALA . 51.5 mt -60.65 -43.51 97.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -66.46 -30.4 70.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -60.33 -40.65 91.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -80.06 -44.96 19.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 5.1 p 59.96 157.06 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -177.91 100.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -77.13 172.95 12.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.65 41.14 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 3.6 m -59.08 152.88 19.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.49 158.53 23.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -155.33 137.4 14.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.799 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -104.64 120.05 40.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.46 139.84 50.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.44 143.04 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.76 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.92 -174.61 1.98 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.515 2.143 . . . . 0.0 112.359 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -148.72 179.02 8.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.763 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 70.0 mt 51.52 89.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -75.94 104.93 6.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.4 129.24 3.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.41 -45.96 4.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 1.4 m 60.98 100.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -112.42 -61.74 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -145.13 169.52 18.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 1.4 tt -126.01 -44.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -149.42 146.73 27.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 2.9 t -173.99 127.54 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 66.52 -75.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -159.14 -49.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.215 -0.897 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.139 0 N-CA-C 112.647 -0.181 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -94.04 151.06 19.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -144.54 141.72 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmm -133.13 50.64 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -101.43 39.68 1.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -94.77 101.25 13.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.6 -19.42 12.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -88.8 52.23 2.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.912 0.387 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mt -159.52 -44.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -67.93 -28.75 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -57.0 -49.92 74.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.423 HD11 HD12 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -83.69 160.02 59.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.409 ' HD2' HD12 ' A' ' 13' ' ' LEU . 74.9 Cg_exo -49.77 163.54 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.626 2.217 . . . . 0.0 112.47 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -43.17 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.048 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 m -59.34 -32.67 70.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.981 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.409 HD12 ' HD2' ' A' ' 10' ' ' PRO . 31.2 mt -80.23 -30.29 38.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.2 m -62.32 -49.96 73.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.287 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -56.94 -31.96 65.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.223 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.513 ' O ' HG22 ' A' ' 19' ' ' THR . 8.4 ttmt -72.09 -35.62 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.945 0.403 . . . . 0.0 110.799 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.874 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.4 mt -77.0 -46.78 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.754 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.4 -40.63 86.35 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.631 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 16' ' ' LYS . 7.9 t -61.44 -39.23 90.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 110.814 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG11 ' OG ' ' B' ' 97' ' ' SER . 22.3 t -80.21 -35.03 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.061 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 17' ' ' ILE . 93.9 t -58.84 -35.84 58.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.06 -32.16 9.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.006 0.431 . . . . 0.0 110.76 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.603 ' O ' HD22 ' A' ' 24' ' ' LEU . 46.7 t -80.18 -41.43 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.801 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.859 HD12 ' HB2' ' A' ' 27' ' ' SER . 4.4 mm? -125.3 73.41 67.15 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.268 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.58 -11.01 30.15 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.524 2.15 . . . . 0.0 112.104 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -104.37 -35.64 7.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.064 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.859 ' HB2' HD12 ' A' ' 24' ' ' LEU . 3.1 t -63.02 -37.58 87.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.88 0.372 . . . . 0.0 110.743 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.655 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -58.84 -33.43 70.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.788 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -31.49 66.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.0 mt -78.85 -48.23 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.08 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' CE1' ' HG ' ' B' ' 98' ' ' LEU . 12.9 m-85 -65.0 -31.62 72.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.038 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 1.6 tt0 -60.1 -50.08 75.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.775 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.54 -20.51 62.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -50.14 29.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.7 p90 -64.86 -29.25 70.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 30.3 mttt -77.05 -30.73 55.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -69.59 -49.93 49.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.23 -22.69 63.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.428 HD11 ' HB1' ' B' ' 108' ' ' ALA . 0.1 OUTLIER -65.45 -28.44 69.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.151 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -79.38 -28.72 41.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.7 -43.85 90.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.078 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.753 ' ND2' HD22 ' B' ' 109' ' ' LEU . 11.0 m-80 -80.03 -10.84 59.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.409 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -95.74 38.87 1.15 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.796 0.331 . . . . 0.0 111.072 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 61.02 155.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.962 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.29 83.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -59.38 132.25 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.8 p -102.86 -22.84 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 66.75 162.57 0.17 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.936 0.398 . . . . 0.0 110.825 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' A' ' 50' ' ' HIS . 0.4 OUTLIER -148.75 -156.23 0.7 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.683 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 49' ' ' HIS . 7.7 m80 64.44 168.83 0.17 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.742 0.306 . . . . 0.0 110.998 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 tttp 64.19 118.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.76 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.23 153.86 81.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.36 -177.31 2.32 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.523 2.149 . . . . 0.0 112.368 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.35 149.98 29.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.497 HG22 ' H ' ' A' ' 57' ' ' ASP . 26.6 mm -99.84 139.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.47 30.7 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.497 ' H ' HG22 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -101.13 -177.6 3.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.4 m -64.26 160.36 18.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 m -122.87 144.36 49.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -102.02 141.68 34.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.04 175.6 8.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.7 mt -77.1 93.97 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.11 -31.67 8.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.7 t -166.99 149.99 6.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.53 132.8 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -139.42 -51.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.094 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.129 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 t60 68.96 -67.03 0.23 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.878 0.371 . . . . 0.0 111.08 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 43.2 mtm -141.09 32.19 1.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.808 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.54 31.94 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 2.1 p -129.69 -178.82 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -107.05 79.11 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.91 176.63 5.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 9.6 t80 67.8 -68.79 0.15 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.54 HD23 ' HB2' ' B' ' 84' ' ' SER . 5.5 mp -60.71 -21.22 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.245 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.88 -29.61 61.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.117 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -98.11 -58.96 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.18 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.448 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 3.2 pp -47.35 162.87 0.27 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.831 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 92.6 Cg_exo -44.21 94.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.57 2.18 . . . . 0.0 112.481 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -52.92 -28.11 21.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.297 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 87.5 p -63.22 -36.27 83.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.721 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.59 -29.19 51.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.763 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.54 ' HB2' HD23 ' B' ' 76' ' ' LEU . 21.7 p -55.22 -26.96 42.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.036 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -58.63 -47.09 85.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.608 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -77.25 -37.19 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.664 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.872 ' O ' HG23 ' B' ' 91' ' ' VAL . 35.7 mt -65.51 -21.82 29.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.179 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.59 -29.3 73.83 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.862 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.608 HG22 ' O ' ' B' ' 86' ' ' LYS . 2.9 t -80.15 -36.03 35.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.598 0.237 . . . . 0.0 111.423 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' B' ' 87' ' ' ILE . 14.4 p -74.28 -41.37 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.405 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 87' ' ' ILE . 65.7 t -57.69 -30.25 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.764 0.316 . . . . 0.0 110.887 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -56.27 -27.61 55.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.657 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.485 HG12 HD21 ' A' ' 24' ' ' LEU . 38.4 t -80.07 -37.8 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.868 HD13 ' CB ' ' B' ' 97' ' ' SER . 3.0 mt -136.6 72.2 57.31 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.262 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.0 -6.04 17.93 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.361 2.041 . . . . 0.0 111.857 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 95.6 p -106.44 -33.67 7.65 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.266 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.868 ' CB ' HD13 ' B' ' 94' ' ' LEU . 40.6 t -67.55 -40.57 84.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.784 0.326 . . . . 0.0 110.811 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.417 HD22 ' HG3' ' B' ' 102' ' ' GLU . 0.2 OUTLIER -53.03 -32.26 45.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -32.89 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' B' ' 97' ' ' SER . 4.3 mt -73.83 -35.44 43.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.945 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -76.62 -34.21 58.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.45 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 2.7 mt-10 -59.43 -50.2 74.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.607 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -70.3 -27.26 64.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.486 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.553 ' O ' HD23 ' B' ' 104' ' ' LEU . 4.1 tt -63.73 -49.89 71.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.806 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.1 p90 -68.86 -22.01 64.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -67.1 -50.18 62.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.407 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -72.8 -29.49 63.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.107 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' A' ' 39' ' ' LEU . . . -57.15 -27.35 61.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.183 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.753 HD22 ' ND2' ' A' ' 42' ' ' ASN . 9.1 mt -79.12 -44.44 22.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.819 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -57.07 -22.37 38.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.15 -43.53 64.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.042 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.03 -36.6 35.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.029 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.55 137.02 52.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -167.8 75.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.788 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -121.74 161.63 22.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.046 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.24 33.71 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 5.7 m -105.32 135.4 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -137.21 91.63 2.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.992 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 60.24 166.13 0.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.52 91.49 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.996 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -152.24 114.32 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.725 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.57 101.53 15.6 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.61 58.26 5.21 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.705 2.27 . . . . 0.0 112.384 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.32 83.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 30.7 mt -86.85 133.4 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.232 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.35 45.17 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 61.0 179.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.82 -44.45 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.801 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 13.3 m -91.8 -179.07 5.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.967 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 3.1 t0 60.9 55.31 3.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.6 tt -166.41 92.95 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.85 78.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -140.12 92.76 2.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 2.7 t -133.53 170.16 15.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -173.46 -41.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.32 153.97 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 21.6 pt . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.083 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 59.93 98.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.8 ptm -161.13 -163.61 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mtm 63.56 82.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -171.3 71.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.823 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.726 ' HE3' HD13 ' A' ' 6' ' ' LEU . 1.1 tptt -80.39 117.07 20.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 52.9 mt -152.58 34.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.79 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -128.23 -68.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.726 HD13 ' HE3' ' A' ' 3' ' ' LYS . 3.3 mp -65.39 -29.09 69.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.045 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -58.17 -31.59 67.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.963 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -82.96 -43.49 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.798 HD11 HD22 ' B' ' 104' ' ' LEU . 18.4 mt -71.42 161.09 80.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.747 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.435 ' CG ' HD12 ' A' ' 13' ' ' LEU . 18.4 Cg_endo -60.14 -172.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.569 2.179 . . . . 0.0 112.188 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -98.89 -31.07 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 t -66.94 -47.47 71.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.993 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.435 HD12 ' CG ' ' A' ' 10' ' ' PRO . 31.2 mt -78.79 -28.79 44.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.73 -31.74 64.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.052 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -42.83 71.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.765 ' O ' HG22 ' A' ' 19' ' ' THR . 14.3 mttt -65.7 -37.04 85.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.795 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.0 mt -72.46 -28.41 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.065 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.81 -29.54 73.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.54 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 16' ' ' LYS . 13.8 t -78.5 -31.13 47.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.899 0.381 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 16' ' ' LYS . 12.0 t -80.25 -49.63 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 17' ' ' ILE . 44.7 t -57.68 -32.77 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -27.99 45.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.648 ' O ' HD12 ' A' ' 24' ' ' LEU . 27.8 t -79.96 -39.54 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.255 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.812 HD13 HD13 ' B' ' 94' ' ' LEU . 5.6 mp -134.18 65.07 68.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.277 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -58.34 -25.65 73.83 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.323 2.015 . . . . 0.0 111.37 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.64 -38.53 33.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.577 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.691 ' HB2' HD23 ' A' ' 24' ' ' LEU . 4.1 t -67.01 -33.58 75.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.921 0.391 . . . . 0.0 110.511 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.745 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -54.39 -33.5 59.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.836 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.46 -32.66 67.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' B' ' 90' ' ' VAL . 35.5 mt -67.22 -50.07 66.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.967 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.493 ' CD2' ' CD2' ' B' ' 101' ' ' PHE . 49.6 m-85 -68.04 -31.06 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.685 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 40.7 tt0 -57.71 -39.65 77.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.665 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' HA ' ' HG2' ' A' ' 36' ' ' LYS . 1.2 mt-10 -80.12 -20.16 45.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.624 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.06 -50.09 10.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.504 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.435 ' CD1' ' HA ' ' A' ' 32' ' ' GLU . 1.6 p90 -68.97 -38.62 79.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.374 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -69.68 -41.48 75.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.058 -179.756 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -53.48 -50.11 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.47 -29.77 66.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.751 HD23 ' ND2' ' B' ' 112' ' ' ASN . 0.3 OUTLIER -59.03 -37.68 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -80.04 -26.26 39.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -56.19 -40.59 74.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -80.05 -31.59 39.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.13 -68.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.965 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -164.97 119.48 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.821 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.59 34.66 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.3 mtm-85 -149.56 -59.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.45 -72.23 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -176.81 129.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -152.91 -46.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -64.5 82.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -107.13 141.94 37.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.32 147.49 37.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.33 64.06 3.58 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.613 2.209 . . . . 0.0 112.361 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -161.08 29.65 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.2 mt -129.68 -45.27 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.064 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -75.98 -56.49 4.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 48.71 27.58 1.58 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.311 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.2 p 179.24 -76.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.72 112.92 18.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -172.82 155.64 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 tp 62.56 149.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 64' ' ' THR . 0.2 OUTLIER -123.22 -179.68 4.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.55 -37.27 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.645 ' H ' HD23 ' A' ' 62' ' ' LEU . 12.5 m -85.16 148.52 26.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.791 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.72 148.39 48.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -135.51 93.04 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.129 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -110.06 -30.77 7.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.68 0.276 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 4.7 mmt 68.57 -65.87 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 17.1 mtt -55.43 -30.55 60.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 63.2 m 61.6 117.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -89.9 176.9 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.7 -54.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.426 ' CE1' ' HG ' ' B' ' 76' ' ' LEU . 10.9 p90 -87.79 -27.57 22.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.915 HD23 HD21 ' B' ' 79' ' ' LEU . 91.7 mt -74.49 -27.51 60.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -65.87 -35.11 79.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.115 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.77 -63.03 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.958 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.915 HD21 HD23 ' B' ' 76' ' ' LEU . 2.5 pp -49.29 167.53 0.22 Allowed Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.614 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.538 ' N ' HD12 ' B' ' 79' ' ' LEU . 91.3 Cg_exo -44.7 93.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.389 2.059 . . . . 0.0 112.456 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -51.78 -28.88 16.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.096 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -60.06 -37.92 81.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.701 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.609 HD23 ' HD2' ' B' ' 86' ' ' LYS . 0.9 OUTLIER -80.05 -32.22 39.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.957 179.796 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 66.4 m -51.06 -29.43 12.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -44.2 89.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.609 ' HD2' HD23 ' B' ' 83' ' ' LEU . 15.5 ptpt -79.97 -32.93 39.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.911 ' O ' HG23 ' B' ' 91' ' ' VAL . 18.9 mt -71.82 -50.13 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.918 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.52 -26.34 64.36 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.374 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -42.4 72.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 86' ' ' LYS . 11.2 t -78.64 -34.51 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.976 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.911 HG23 ' O ' ' B' ' 87' ' ' ILE . 86.7 t -55.39 -26.8 19.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.694 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -55.72 -35.97 66.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.461 ' O ' HD12 ' B' ' 94' ' ' LEU . 66.1 t -79.99 -30.65 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.781 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' B' ' 97' ' ' SER . 1.1 mp -136.63 67.0 58.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.048 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.97 -35.77 11.45 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.755 2.304 . . . . 0.0 112.127 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -75.58 -32.74 60.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.981 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.835 ' CB ' HD23 ' B' ' 94' ' ' LEU . 16.9 t -70.71 -31.57 68.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.994 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.792 HD12 ' O ' ' B' ' 98' ' ' LEU . 0.6 OUTLIER -57.83 -34.2 69.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.555 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.81 -27.68 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.596 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 24.3 mm -66.58 -50.11 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.493 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 90.3 m-85 -68.51 -37.99 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -62.57 -29.25 70.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.46 -50.07 15.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.816 HD12 ' N ' ' B' ' 105' ' ' TYR . 4.1 pp -64.88 -36.83 85.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.816 ' N ' HD12 ' B' ' 104' ' ' LEU . 0.0 OUTLIER -59.33 -38.3 79.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.1 -33.98 38.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -64.7 -44.24 90.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.014 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.699 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -61.54 -25.61 67.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.464 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 48.2 mt -57.14 -42.71 81.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.772 0.32 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -64.86 -30.22 71.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.034 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.2 -33.38 73.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . 0.751 ' ND2' HD23 ' A' ' 39' ' ' LEU . 7.3 m-80 -74.48 -33.21 62.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 69.8 m -67.43 147.26 53.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -109.45 125.2 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -72.89 -31.56 64.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 -88.67 147.04 24.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 52.4 p -151.75 40.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 61.81 103.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -60.85 -19.89 60.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 68.02 92.63 0.08 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -177.19 142.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -143.98 127.55 8.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.24 130.6 40.53 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.359 2.04 . . . . 0.0 112.234 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -99.81 95.94 7.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.805 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 2.5 mt -112.18 -33.57 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -93.53 168.91 10.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.95 -44.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 69.4 m -112.07 118.55 35.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.81 -50.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -145.27 92.84 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.75 ' C ' HD22 ' B' ' 132' ' ' LEU . 0.2 OUTLIER -140.0 79.08 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.75 HD22 ' C ' ' B' ' 131' ' ' LEU . 4.1 mm? -132.89 -178.91 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.45 -39.26 7.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 2.5 p -148.31 177.56 9.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.82 157.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -129.38 93.46 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.133 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . 0.424 ' CE1' ' HG3' ' A' ' 0' ' ' MET . 20.9 p80 -96.65 -33.47 11.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.843 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.424 ' HG3' ' CE1' ' A' ' -1' ' ' HIS . 5.2 mtt -74.14 138.27 43.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.945 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mtt -134.68 -46.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.43 156.88 4.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 61.72 120.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.94 -32.44 9.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.038 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 6' ' ' LEU . 18.8 p90 -78.31 -33.57 49.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 0.5 OUTLIER -82.32 -22.35 35.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -96.37 29.75 2.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -116.04 -40.8 3.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.73 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 10' ' ' PRO . 1.4 pp -77.72 160.51 74.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.519 ' O ' HD12 ' A' ' 9' ' ' LEU . 76.9 Cg_exo -50.24 154.8 5.35 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.538 2.159 . . . . 0.0 112.409 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -76.35 -31.4 58.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -42.07 98.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.8 mt -80.09 -29.97 39.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.053 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -29.29 58.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.206 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -35.24 80.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' O ' HG22 ' A' ' 19' ' ' THR . 0.1 OUTLIER -79.36 -28.09 41.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.855 ' O ' HG23 ' A' ' 21' ' ' VAL . 34.4 mt -79.97 -49.5 19.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.69 -25.55 51.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.854 -0.689 . . . . 0.0 113.087 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 16' ' ' LYS . 8.2 t -79.6 -39.86 30.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.72 0.295 . . . . 0.0 111.133 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.578 HG21 ' OG ' ' B' ' 97' ' ' SER . 11.6 p -80.08 -38.68 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.283 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 17' ' ' ILE . 59.4 t -56.29 -31.11 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -30.94 48.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.8 t -79.81 -49.65 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.864 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.975 HD13 HD13 ' B' ' 94' ' ' LEU . 4.4 mp -117.07 72.92 6.43 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.021 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.13 -28.77 23.08 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.49 2.127 . . . . 0.0 111.958 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.7 t -83.74 -34.46 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.683 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.69 ' CB ' HD23 ' A' ' 24' ' ' LEU . 1.4 t -60.33 -47.33 86.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.728 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.51 HD12 ' CG1' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -45.95 -31.47 2.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.35 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -56.81 -30.88 64.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mt -80.03 -42.21 21.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.02 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -69.39 -39.38 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 1.3 tt0 -60.02 -42.38 94.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.11 -22.61 52.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.71 -49.99 41.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.972 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.457 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.7 p90 -62.94 -38.56 91.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.788 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -31.5 59.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -69.29 -43.8 73.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.87 -13.37 62.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.518 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.508 HD21 HD21 ' B' ' 112' ' ' ASN . 0.1 OUTLIER -76.88 -28.64 55.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.701 0.286 . . . . 0.0 110.95 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.05 -30.74 39.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -17.67 59.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.396 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -50.67 -26.67 5.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.225 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m 62.94 162.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.09 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -166.03 37.61 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.973 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.81 -72.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -117.04 98.71 6.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.6 p -132.8 112.26 11.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.5 57.53 4.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -92.66 100.45 12.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -141.18 153.77 45.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -59.82 155.03 17.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -114.3 94.65 36.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.978 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.49 67.25 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.696 2.264 . . . . 0.0 112.222 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.55 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -153.17 123.63 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.795 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.55 HD13 ' O ' ' A' ' 54' ' ' ARG . 27.5 mm -130.19 -43.65 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.265 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -112.28 -62.82 1.51 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -108.74 -178.64 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.996 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.6 m -114.09 146.54 40.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 t -154.95 34.61 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -131.93 83.19 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.43 -169.36 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.29 134.92 51.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -143.86 31.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 m -100.91 -62.77 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -171.37 120.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -92.85 129.9 38.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.434 ' OXT' HG22 ' A' ' 67' ' ' ILE . 17.5 mt . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.161 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . 0.404 ' O ' ' N ' ' B' ' 71' ' ' MET . 1.9 m-70 61.23 111.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.67 0.272 . . . . 0.0 110.937 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 34.27 -91.16 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.146 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . 0.404 ' N ' ' O ' ' B' ' 69' ' ' HIS . 8.7 tpp 62.11 76.81 0.35 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.86 0.362 . . . . 0.0 110.792 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.1 t -109.37 102.7 11.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.6 tttt 61.36 109.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.997 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 mt -159.59 29.16 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.722 ' O ' HD23 ' B' ' 79' ' ' LEU . 71.2 t80 -129.39 -43.54 1.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mp -87.41 8.71 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.497 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.5 -30.65 12.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 110.688 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -91.77 -56.61 3.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.81 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.722 HD23 ' O ' ' B' ' 75' ' ' PHE . 2.0 pp -55.52 170.6 0.39 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.577 ' N ' HD12 ' B' ' 79' ' ' LEU . 84.0 Cg_exo -47.03 93.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.435 2.09 . . . . 0.0 112.412 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -54.77 -27.97 45.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.176 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 4.2 m -57.34 -42.93 82.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.923 0.392 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.99 -28.4 39.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 74.7 m -49.36 -27.5 4.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.256 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -49.98 75.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.556 ' O ' HG22 ' B' ' 89' ' ' THR . 0.3 OUTLIER -80.08 -25.24 40.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.823 ' O ' HG23 ' B' ' 91' ' ' VAL . 34.2 mt -79.1 -38.48 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.17 -25.46 68.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.711 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.556 HG22 ' O ' ' B' ' 86' ' ' LYS . 6.9 t -79.98 -37.41 34.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.73 0.3 . . . . 0.0 111.041 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.489 HG21 ' OG ' ' A' ' 27' ' ' SER . 12.6 p -80.18 -40.98 20.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.272 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.823 HG23 ' O ' ' B' ' 87' ' ' ILE . 89.8 t -56.68 -30.18 31.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -53.86 -31.53 49.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.58 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 55.7 t -80.2 -49.8 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.9 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.975 HD13 HD13 ' A' ' 24' ' ' LEU . 3.3 mp -116.13 69.1 3.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.27 -25.83 18.23 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.461 2.107 . . . . 0.0 112.004 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.2 p -84.62 -31.94 23.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.578 ' OG ' HG21 ' A' ' 20' ' ' VAL . 13.2 t -66.37 -43.25 86.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.783 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.486 HD12 ' CG1' ' B' ' 91' ' ' VAL . 0.5 OUTLIER -47.5 -32.9 5.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.326 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.47 -42.9 83.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.945 0.402 . . . . 0.0 111.01 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' B' ' 97' ' ' SER . 4.4 mt -62.53 -37.62 79.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.004 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -78.85 -31.68 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.431 ' HG3' ' CE1' ' B' ' 75' ' ' PHE . 6.5 tt0 -60.47 -48.78 80.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.78 -23.52 60.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.476 HD11 HD22 ' A' ' 9' ' ' LEU . 3.6 tt -69.84 -47.33 63.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' B' ' 106' ' ' LYS . 1.4 p90 -69.01 -46.57 67.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.879 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.453 ' N ' ' CD1' ' B' ' 105' ' ' TYR . 4.7 tttp -60.26 -35.48 75.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.793 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -66.79 -50.13 63.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.789 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.57 -25.68 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.235 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 77.5 mt -77.65 -30.32 52.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -76.38 -36.2 58.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.095 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -77.77 -27.84 50.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . 0.508 HD21 HD21 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -57.34 -30.53 64.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.953 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.36 71.06 1.0 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.812 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -113.04 -34.48 5.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -136.13 166.99 22.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.95 164.5 33.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 90.0 p -174.13 126.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -151.47 94.69 2.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 60.53 49.27 6.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.028 0.442 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.88 140.63 32.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.796 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -139.1 -176.2 4.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt 62.53 64.51 1.66 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.19 150.22 49.99 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.563 2.175 . . . . 0.0 112.29 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.99 150.28 48.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 2.5 mt -77.55 145.11 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.013 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -97.68 143.21 28.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -110.48 173.75 6.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.752 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.69 38.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.81 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 3.7 t 63.89 138.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -151.35 116.25 5.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 tp -146.84 88.72 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.99 172.71 9.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.7 tptm 60.75 91.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.83 91.28 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.42 124.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . 0.772 ' O ' HG22 ' B' ' 137' ' ' ILE . 9.5 mt-10 -144.38 -47.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . 0.862 ' O ' HD13 ' B' ' 137' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.94 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -140.54 144.18 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.9 ttt -93.57 -44.28 8.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.06 179.82 6.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -139.8 118.32 12.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -96.84 118.93 34.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.68 168.75 18.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.805 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 6' ' ' LEU . 27.1 p90 -60.86 -43.02 98.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.824 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.796 HD12 ' N ' ' A' ' 7' ' ' ASP . 0.7 OUTLIER -69.15 -18.9 63.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.796 ' N ' HD12 ' A' ' 6' ' ' LEU . 1.2 t0 -58.98 -31.51 68.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -83.14 -28.52 29.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.01 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.785 HD11 HD21 ' B' ' 104' ' ' LEU . 26.6 mt -55.92 160.91 3.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.989 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.43 140.46 53.58 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.698 2.265 . . . . 0.0 112.286 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.73 -29.08 64.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -50.1 69.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mt -80.18 -41.34 25.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.026 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.2 p -55.05 -27.79 47.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.319 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -42.98 56.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.028 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 19' ' ' THR . 9.0 mtpp -68.8 -30.91 69.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.022 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.914 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.1 mt -78.72 -49.7 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.72 -29.56 58.4 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.94 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 16' ' ' LYS . 6.9 t -73.55 -38.64 65.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 111.13 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 17' ' ' ILE . 12.3 p -79.86 -32.56 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.05 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.064 HG11 HD12 ' A' ' 28' ' ' LEU . 60.5 t -62.06 -31.5 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.639 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -28.44 35.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.459 ' O ' HD22 ' A' ' 24' ' ' LEU . 46.0 t -79.82 -47.03 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.962 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.89 HD12 ' HB2' ' A' ' 27' ' ' SER . 2.8 mm? -121.36 67.85 19.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.19 -22.33 72.67 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.39 2.06 . . . . 0.0 111.398 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.6 t -83.96 -40.73 18.13 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.592 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.89 ' HB2' HD12 ' A' ' 24' ' ' LEU . 5.9 t -60.5 -40.75 92.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.878 0.371 . . . . 0.0 110.544 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.064 HD12 HG11 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -46.19 -36.91 6.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.348 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.02 -50.0 70.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 27' ' ' SER . 2.6 mt -59.07 -50.11 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -60.8 -32.86 72.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' HG3' ' CD2' ' A' ' 5' ' ' PHE . 15.1 tt0 -57.21 -50.11 73.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.93 -33.16 65.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.856 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -67.81 -40.74 83.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.368 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.554 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.36 -42.01 72.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.412 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -75.64 -26.31 57.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -58.67 -49.77 76.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.4 42.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.362 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.68 HD11 ' HB1' ' B' ' 108' ' ' ALA . 13.1 mt -80.08 -28.64 39.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.98 -28.03 39.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.464 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -55.13 -33.04 62.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.845 0.355 . . . . 0.0 111.201 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.91 -28.29 66.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.981 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.3 m -69.37 -76.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -110.94 -22.37 11.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t0 68.07 31.16 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.757 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 59.13 93.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -135.22 -46.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -169.96 135.29 1.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -139.99 109.51 6.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.21 154.14 35.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.2 mttt 60.5 99.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.821 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -84.73 149.86 54.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.99 89.91 1.2 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.87 178.84 7.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 mm -82.67 113.58 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.18 132.87 53.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.797 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.47 126.89 1.65 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.2 p -146.2 119.15 8.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.94 175.85 9.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.46 154.94 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.28 -27.55 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -57.4 109.89 0.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.076 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -110.83 36.49 3.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 49.1 p -118.06 125.61 50.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -108.92 164.51 12.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.777 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -137.93 32.49 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.0 pt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.167 -0.921 . . . . 0.0 111.169 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.626 -0.19 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.6 114.36 21.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.89 111.38 14.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -93.19 174.83 7.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.45 126.28 28.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -73.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.95 37.75 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -157.8 -53.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mp -95.21 20.1 9.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -115.21 -34.86 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.916 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -77.54 -67.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.568 HD12 ' N ' ' B' ' 80' ' ' PRO . 1.9 pp -52.8 171.4 0.22 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.711 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.568 ' N ' HD12 ' B' ' 79' ' ' LEU . 88.6 Cg_exo -48.25 90.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.509 2.139 . . . . 0.0 112.254 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -56.79 -27.19 59.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.078 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -60.25 -50.15 74.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.702 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.552 ' C ' HD12 ' B' ' 83' ' ' LEU . 1.2 pp -80.2 -30.16 38.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.79 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -25.9 43.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.765 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -58.02 -43.71 86.9 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.822 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.796 ' O ' HG22 ' B' ' 89' ' ' THR . 0.1 OUTLIER -65.1 -35.69 81.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.703 179.792 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.9 ' O ' HG23 ' B' ' 91' ' ' VAL . 38.5 mt -69.65 -33.17 55.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.775 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.77 -42.58 99.52 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.796 HG22 ' O ' ' B' ' 86' ' ' LYS . 14.0 t -64.07 -31.66 72.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.77 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 23.6 t -80.19 -46.6 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.042 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 87' ' ' ILE . 42.5 t -56.46 -29.5 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -55.78 -31.41 62.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.749 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.446 ' O ' HD12 ' B' ' 94' ' ' LEU . 43.1 t -79.96 -35.42 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.024 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.941 HD23 ' CB ' ' B' ' 97' ' ' SER . 1.0 OUTLIER -136.53 65.07 54.22 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.198 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' B' ' 94' ' ' LEU . 16.0 Cg_exo -67.47 -28.35 38.74 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.573 2.182 . . . . 0.0 111.747 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 9.8 p -78.69 -38.48 39.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.941 ' CB ' HD23 ' B' ' 94' ' ' LEU . 39.9 t -66.21 -31.08 71.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.749 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.779 HD12 ' O ' ' B' ' 98' ' ' LEU . 0.7 OUTLIER -58.97 -31.63 68.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.03 -30.68 70.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.78 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.444 HD12 HG11 ' A' ' 20' ' ' VAL . 46.5 mt -69.23 -47.49 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -66.95 -27.34 67.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.453 ' HA ' ' CD2' ' B' ' 105' ' ' TYR . 43.3 tt0 -56.62 -49.84 73.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.726 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -72.03 -21.82 61.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.783 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.785 HD21 HD11 ' A' ' 9' ' ' LEU . 2.3 tt -71.12 -50.03 37.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.453 ' CD2' ' HA ' ' B' ' 102' ' ' GLU . 1.7 p90 -64.22 -37.12 86.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.777 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -62.21 -31.99 72.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -59.97 -48.42 81.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.68 ' HB1' HD11 ' A' ' 39' ' ' LEU . . . -71.87 -29.06 63.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.43 -45.6 84.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.932 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -74.49 -30.41 61.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.0 -27.78 65.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -55.9 -23.14 29.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.238 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 30.1 t -55.05 -29.73 58.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.047 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -173.14 151.43 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -131.88 175.5 9.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.32 109.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 1.3 m -174.4 -41.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.87 152.99 22.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -66.2 137.58 57.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 111.06 22.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.976 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 17.0 mttp 61.13 -178.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? 60.67 66.26 1.86 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -57.7 84.79 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.613 2.208 . . . . 0.0 112.212 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.95 102.83 4.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.562 ' O ' HG23 ' B' ' 125' ' ' ILE . 2.4 tt -170.76 63.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.25 -66.52 0.95 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -161.66 -169.94 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 64.28 95.2 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 1.3 p -120.14 32.0 6.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.64 153.96 20.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 12.1 mt 60.21 172.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.413 ' O ' HD23 ' B' ' 132' ' ' LEU . 0.3 OUTLIER 60.25 31.13 20.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -160.61 30.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . 0.437 HG23 ' N ' ' B' ' 135' ' ' ASP . 7.2 t -138.96 -47.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.437 ' N ' HG23 ' B' ' 134' ' ' THR . 1.6 m-20 -131.12 38.96 3.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -137.14 92.35 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.992 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.575 -0.21 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -109.67 31.5 5.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.865 0.364 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -127.55 -64.62 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtt -67.0 -174.05 0.3 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m 62.52 32.08 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -127.73 -176.55 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 mp 62.99 57.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.421 ' CD2' HD11 ' A' ' 28' ' ' LEU . 17.0 t80 -103.12 -42.41 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.734 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.566 HD12 ' H ' ' A' ' 6' ' ' LEU . 4.8 mp -69.14 -31.03 69.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.31 -35.53 76.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -59.28 -59.03 6.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.773 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 17' ' ' ILE . 1.4 pp -66.83 160.8 66.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.796 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.457 ' O ' HD12 ' A' ' 9' ' ' LEU . 80.8 Cg_exo -48.06 170.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.574 2.183 . . . . 0.0 112.524 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -84.11 -38.43 20.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t -58.76 -41.7 87.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.431 HD22 HD11 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -76.24 -36.51 58.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.2 t -57.17 -32.82 66.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -35.77 80.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.699 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -80.1 -32.28 39.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.019 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 21' ' ' VAL . 44.7 mt -76.0 -49.17 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.052 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.48 -28.95 52.48 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.695 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 16' ' ' LYS . 8.9 t -79.98 -33.18 39.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 16' ' ' LYS . 53.3 t -80.03 -36.76 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.002 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 17' ' ' ILE . 47.3 t -54.5 -34.96 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -29.89 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.61 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.625 ' CG1' HD11 ' B' ' 94' ' ' LEU . 25.3 t -80.15 -31.3 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.251 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.745 HD22 ' HB2' ' A' ' 27' ' ' SER . 4.2 mt -147.58 69.41 11.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 111.657 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -61.86 -19.24 64.96 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.311 2.007 . . . . 0.0 111.085 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -89.98 -43.63 10.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.027 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.745 ' HB2' HD22 ' A' ' 24' ' ' LEU . 5.4 t -55.35 -42.44 73.85 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-O 120.864 0.364 . . . . 0.0 110.592 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -59.71 -31.69 69.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.679 179.735 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.39 -47.41 79.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 27' ' ' SER . 3.0 mt -57.17 -48.68 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' B' ' 98' ' ' LEU . 38.5 m-85 -62.68 -28.03 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -58.74 -44.55 90.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -80.18 -24.21 40.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.032 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.758 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -80.09 -50.14 10.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.156 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.744 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -58.53 -35.07 71.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.753 0.311 . . . . 0.0 110.711 -179.834 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.636 ' HA ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -80.06 -29.98 39.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -69.26 -50.09 50.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.16 -25.3 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.377 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.661 HD23 ' HG ' ' B' ' 109' ' ' LEU . 10.2 mt -58.31 -35.34 71.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.08 -28.35 39.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.097 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.39 -25.05 48.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.251 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.437 ' HB3' HD22 ' B' ' 109' ' ' LEU . 46.2 p-10 -56.33 -31.41 63.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 111.065 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.5 p -85.98 155.0 21.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -161.97 31.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.47 153.9 41.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 61.76 150.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.9 p -176.82 -50.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -89.67 162.62 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -109.46 -178.55 3.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.82 95.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.48 156.36 16.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.451 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.0 OUTLIER 177.66 -59.35 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' A' ' 52' ' ' LYS . 42.9 Cg_endo -67.34 111.59 2.33 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.351 2.034 . . . . 0.0 112.328 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.35 53.34 1.95 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.8 mm 51.53 82.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.231 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -161.61 145.11 12.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -99.64 31.43 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.8 t -138.41 69.58 1.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 77.3 p -174.59 39.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.79 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.4 130.18 36.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.51 140.34 41.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -166.92 128.59 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.956 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' N ' HD13 ' A' ' 62' ' ' LEU . 7.2 mttm -120.55 -56.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.56 145.99 50.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.819 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.61 127.51 36.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.489 ' O ' HG22 ' A' ' 67' ' ' ILE . 4.7 mm-40 -142.06 -69.47 0.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 66' ' ' GLU . 2.6 tt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.435 -0.793 . . . . 0.0 111.564 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -153.71 141.56 20.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.04 111.46 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.16 113.75 25.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.6 147.47 47.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.16 131.83 47.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -98.48 29.41 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.429 ' CE2' ' HG2' ' B' ' 102' ' ' GLU . 89.1 t80 -104.17 -32.02 9.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 mp -98.15 30.67 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.75 10.5 4.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -128.02 -57.33 1.25 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 0.0 110.789 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.48 ' HB2' ' HD2' ' B' ' 80' ' ' PRO . 0.2 OUTLIER -47.85 165.64 0.22 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.729 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' B' ' 79' ' ' LEU . 93.3 Cg_exo -42.67 94.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.578 2.185 . . . . 0.0 112.37 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -28.87 2.53 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.336 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -59.39 -45.11 92.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.913 0.387 . . . . 0.0 110.725 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.16 -35.75 36.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.755 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 28.3 p -53.97 -27.66 32.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -58.56 -43.72 89.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.791 ' O ' HG23 ' B' ' 90' ' ' VAL . 0.0 OUTLIER -79.13 -34.45 43.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.805 179.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.939 ' O ' HG23 ' B' ' 91' ' ' VAL . 54.8 mt -66.34 -50.27 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.803 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.68 -26.35 57.22 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.263 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.89 -35.59 37.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.961 0.41 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.791 HG23 ' O ' ' B' ' 86' ' ' LYS . 21.5 t -80.16 -29.31 12.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.381 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.939 HG23 ' O ' ' B' ' 87' ' ' ILE . 59.9 t -55.07 -31.22 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.155 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -54.54 -36.66 64.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.759 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 40.9 t -80.03 -46.28 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.984 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.725 HD23 ' CB ' ' B' ' 97' ' ' SER . 5.9 mp -125.58 74.13 69.21 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' PRO . . . . . 0.447 ' HA ' HG13 ' B' ' 91' ' ' VAL . 59.1 Cg_endo -72.24 -29.19 14.51 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.538 2.159 . . . . 0.0 111.952 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.7 m -84.22 -34.33 23.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.773 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . 0.725 ' CB ' HD23 ' B' ' 94' ' ' LEU . 1.7 t -60.19 -43.43 95.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.798 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -59.47 -28.98 67.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.681 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.48 -47.86 82.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.025 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' B' ' 97' ' ' SER . 2.1 mp -58.71 -50.03 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.236 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 33.1 m-85 -59.8 -32.89 71.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.429 ' HG2' ' CE2' ' B' ' 75' ' ' PHE . 87.3 mt-10 -63.91 -39.62 94.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.687 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.13 -24.41 40.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.428 HD11 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -67.26 -50.05 62.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.446 ' CZ ' ' HG3' ' B' ' 106' ' ' LYS . 0.8 OUTLIER -62.97 -34.66 77.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.743 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.446 ' HG3' ' CZ ' ' B' ' 105' ' ' TYR . 7.3 mtpm? -76.78 -32.64 57.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.628 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -73.66 -47.28 41.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.634 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.99 -13.11 61.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.429 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.661 ' HG ' HD23 ' A' ' 39' ' ' LEU . 3.1 mt -75.67 -31.15 59.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.766 0.317 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -80.06 -40.97 26.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.046 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -27.38 65.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -56.77 -26.78 58.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.049 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 2.3 m 62.68 146.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -114.7 -35.11 4.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -114.73 -69.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.2 174.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.77 159.76 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -130.13 64.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -68.24 103.64 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -87.74 -67.12 0.85 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 8.9 tttp 61.13 156.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -99.75 150.42 36.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.23 62.75 3.44 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.567 2.178 . . . . 0.0 112.337 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -146.89 110.42 4.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.458 HD12 ' N ' ' B' ' 125' ' ' ILE . 3.8 mp -132.81 -45.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.254 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -120.19 -42.43 2.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -94.48 96.86 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.6 p -141.44 134.33 28.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.18 120.94 37.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -105.1 -31.32 9.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 1.5 mp -113.79 173.51 6.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 11.0 mt 60.42 177.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? 60.67 41.68 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 25.0 p -103.43 -31.65 9.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -149.12 39.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -143.43 118.2 9.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . 0.461 HG23 ' OXT' ' B' ' 137' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.075 -179.889 . . . . . . . . 2 2 . 1 stop_ save_