data_2cq1_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 2cq1 _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 ' 58' ' ' SER . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.92 0.39 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -62.36 -34.23 76.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 61' ' ' LEU . 20.0 t -83.56 135.98 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.407 ' N ' HG13 ' A' ' 60' ' ' VAL . 33.0 mt -117.55 136.7 53.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.023 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.572 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 10.7 t-160 -93.3 144.01 25.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.833 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.1 mt -135.0 132.75 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.572 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -127.15 171.86 11.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HD2' ' CZ ' ' A' ' 127' ' ' TYR . 6.6 mtpm? 56.1 48.71 17.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.8 mt -81.94 143.27 49.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.09 132.59 18.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.277 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.24 115.05 4.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.44 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 69.53 42.42 1.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 p -73.93 143.79 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 72' ' ' GLU . 77.0 p -96.39 135.08 38.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.462 ' CG ' HD12 ' A' ' 88' ' ' ILE . 9.9 tt0 -36.45 -52.64 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' GLU . 23.6 m -35.44 -52.94 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.76 -57.99 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.26 -24.4 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.429 ' CD1' ' OE1' ' A' ' 72' ' ' GLU . 90.9 mt -78.62 -36.51 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.12 63.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.5 mt -87.29 -9.78 54.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.423 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -108.61 -23.05 6.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.517 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.645 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 26.4 mt -58.62 -42.07 92.4 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.634 0.73 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 63.8 Cg_exo -47.94 -55.22 4.2 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.638 2.225 . . . . 0.0 112.362 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 21.7 m-85 -72.58 -50.94 22.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -162.91 -171.25 28.9 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -90.81 140.46 29.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.6 t -87.84 109.45 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 p -88.65 -28.31 20.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -146.35 139.25 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.462 HD12 ' CG ' ' A' ' 72' ' ' GLU . 6.6 tt -143.56 139.98 26.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp -127.76 112.88 15.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 16.0 tpp -112.25 105.38 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.824 0.345 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -127.52 157.18 40.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -165.67 149.52 8.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -118.29 129.07 55.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.7 tp -110.12 148.88 30.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -136.62 117.22 13.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 102' ' ' ALA . 8.2 mp -87.11 156.74 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.69 -55.71 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.5 p -125.11 164.98 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.29 -41.87 89.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -45.6 -46.15 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.11 -29.73 65.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.74 -60.86 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 90.9 mt -41.66 -47.79 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 63.6 m -68.62 -38.7 80.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.535 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 12.1 ttt -55.21 -66.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 112' ' ' ASN . 84.8 t -40.75 -59.25 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.6 m-80 -37.6 -60.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -40.17 -43.37 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.565 ' CD2' HD13 ' A' ' 128' ' ' ILE . 29.4 m-85 -80.84 -31.15 35.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 112' ' ' ASN . 9.4 t -44.95 -33.03 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.74 -36.17 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.0 t -96.74 132.32 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.554 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 18.7 m -102.14 104.93 39.75 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.564 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.5 Cg_endo -76.49 164.4 30.68 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.607 2.205 . . . . 0.0 112.385 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.554 ' CE1' ' O ' ' A' ' 118' ' ' THR . 12.7 m80 -150.95 125.2 9.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 124' ' ' GLN . 27.1 mt -104.63 130.85 52.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 55.4 44.1 27.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.807 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 17.2 m120 62.25 30.57 17.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 121' ' ' LEU . 67.0 mt-30 -139.06 148.53 57.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.48 142.27 26.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.242 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 27.1 pt -119.71 149.36 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.512 ' CZ ' ' HD2' ' A' ' 65' ' ' LYS . 10.6 m-30 -100.45 135.78 41.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.565 HD13 ' CD2' ' A' ' 114' ' ' TYR . 68.9 mt -142.69 121.72 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.147 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -155.63 171.24 20.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.56 172.02 5.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.949 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 53.6 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.841 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.877 0.37 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.3 ptt-85 -64.78 -13.27 54.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.5 t -108.52 149.25 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.3 mt -123.17 139.58 53.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.497 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 7.2 t-80 -99.82 119.4 38.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.784 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.9 mt -114.94 144.2 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.497 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -138.16 173.68 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mttt 57.66 51.19 9.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.3 mt -85.95 142.97 36.9 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.582 0.706 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -47.02 149.78 3.2 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.667 2.245 . . . . 0.0 112.297 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.91 142.06 47.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.418 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 42.25 45.66 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.2 p -84.88 142.57 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.049 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 72' ' ' GLU . 37.6 p -98.66 135.0 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 71' ' ' THR . 10.8 mt-10 -35.69 -39.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -37.73 -46.42 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -54.3 -67.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.3 t -51.58 -42.35 29.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 85.0 mt -57.62 -54.3 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.6 -20.36 55.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 72.3 mt -89.71 -11.73 41.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.34 -14.46 13.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.562 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.8 mt -69.56 -41.81 17.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.637 0.732 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.9 Cg_exo -47.94 -37.69 29.83 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.474 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 51.1 m-85 -81.52 -50.87 8.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.27 -124.11 0.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.529 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -134.55 142.0 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.788 0.328 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.2 t -95.88 106.87 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.7 p -97.57 -40.45 8.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -128.47 129.24 45.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.8 tt -141.01 152.09 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.5 tp -144.64 119.08 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 16.1 ttm -120.98 135.13 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -125.07 161.64 26.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -165.96 131.58 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -99.35 138.68 36.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.2 tp -118.63 152.53 35.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -144.07 107.32 4.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.418 ' N ' HD13 ' A' ' 101' ' ' LEU . 7.1 mp -83.08 167.2 18.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.0 -52.29 3.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.7 p -138.3 143.41 39.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -48.97 -34.73 13.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -39.03 -51.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.61 -45.06 80.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.72 -43.83 27.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.6 -48.2 89.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 42.0 m -64.43 -34.06 77.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.474 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 15.5 ttt -60.06 -51.95 67.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 38.8 t -61.04 -45.4 98.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -51.44 -53.85 32.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -51.33 -40.78 59.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.568 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 17.2 m-85 -76.72 -26.76 55.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.9 m -52.92 -34.55 55.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.85 -43.38 6.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.1 t -94.54 131.59 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.4 m -101.21 105.12 37.43 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.543 0.687 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.568 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.4 Cg_endo -76.25 162.75 33.54 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.405 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -152.12 126.11 9.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.795 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 32.6 mt -101.6 143.33 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 40.12 46.49 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 59.34 49.59 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.469 ' CG ' ' HD2' ' A' ' 125' ' ' PRO . 10.4 tt0 -160.03 141.74 9.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.553 0.692 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 124' ' ' GLN . 60.1 Cg_endo -74.18 148.98 40.1 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.666 2.244 . . . . 0.0 112.305 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 43.5 pt -121.39 153.93 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 64' ' ' ARG . 5.7 m-30 -101.53 126.41 48.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 38.4 mt -131.57 126.88 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -157.79 156.68 31.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -58.12 131.99 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.8 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.889 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.854 0.359 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -57.35 -48.97 77.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.419 ' CG2' ' OE1' ' A' ' 100' ' ' GLU . 83.8 t -87.49 122.6 39.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.0 mt -94.9 146.13 24.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.627 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 9.4 t-160 -98.33 128.42 44.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 64' ' ' ARG . 73.3 mt -125.99 134.59 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.627 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -130.23 -177.64 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 16.5 mmtp 53.62 50.87 16.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.2 mt -82.35 141.36 45.82 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.569 0.7 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.44 161.58 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.63 108.46 2.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 73.8 46.55 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.93 0.395 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 p -84.06 150.16 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.1 p -98.61 161.11 13.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.99 -42.18 81.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.9 m -43.34 -36.42 1.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.199 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.23 -62.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.5 t -54.66 -39.94 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 35.3 mt -62.29 -51.28 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.86 -16.47 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 80.7 mt -93.11 -20.0 20.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -103.83 -10.5 34.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.426 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 23.8 mt -71.13 -41.83 11.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.729 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.3 Cg_exo -48.1 -31.16 15.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.604 2.203 . . . . 0.0 112.382 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 59.7 m-85 -96.94 -46.48 6.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.73 158.03 29.53 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 85' ' ' VAL . 5.7 tmtt? -66.44 142.83 57.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.429 ' N ' ' HD3' ' A' ' 84' ' ' LYS . 79.3 t -93.87 109.26 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.1 p -86.82 -44.99 11.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -131.0 137.49 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.9 tt -142.03 141.11 29.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.4 tp -133.85 121.14 21.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.9 ttm -120.75 113.99 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.4 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -127.56 153.33 46.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.05 132.58 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -103.61 121.05 42.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.0 tp -109.16 143.68 38.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.419 ' OE1' ' CG2' ' A' ' 60' ' ' VAL . 28.8 tt0 -131.33 130.86 43.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 101' ' ' LEU . 6.5 mp -106.92 167.95 9.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.59 -56.29 14.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.9 p -113.38 162.95 15.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -74.61 -23.05 58.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -67.66 -41.45 83.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.2 -32.89 64.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.02 -41.01 52.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.2 mt -58.13 -65.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.3 m -52.63 -34.89 53.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.448 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 13.5 ttt -62.1 -48.57 79.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.7 t -63.58 -36.4 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.16 -55.53 24.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -45.51 -36.52 4.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.47 ' CD2' HD13 ' A' ' 128' ' ' ILE . 12.0 m-85 -85.13 -37.33 20.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 65.1 m -39.27 -32.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.33 -39.61 6.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 76.2 t -92.33 132.16 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.494 HG23 ' CE1' ' A' ' 120' ' ' HIS . 13.9 m -103.53 102.44 29.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.728 . . . . 0.0 111.187 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.487 ' C ' ' CG ' ' A' ' 120' ' ' HIS . 62.4 Cg_endo -78.33 174.06 12.94 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.494 ' CE1' HG23 ' A' ' 118' ' ' THR . 13.0 m-70 -160.17 120.64 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 27.5 mt -101.13 137.4 39.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? 49.06 42.41 20.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 62.0 40.68 12.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -150.16 144.77 17.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.82 144.1 24.16 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.1 pt -118.88 154.38 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.448 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 4.0 m-30 -105.16 130.92 53.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.47 HD13 ' CD2' ' A' ' 114' ' ' TYR . 62.5 mt -135.7 126.71 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -164.3 -179.67 6.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -72.73 157.3 37.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.908 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.327 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -95.14 -25.52 16.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.3 t -92.57 125.42 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.9 mt -103.64 139.49 38.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.507 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 9.6 t-80 -99.36 121.82 41.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 64' ' ' ARG . 25.2 mt -118.36 142.77 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.507 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -141.53 173.36 11.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HD3' ' CE1' ' A' ' 127' ' ' TYR . 11.5 mtpt 61.44 42.31 11.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt -76.86 143.57 71.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.612 0.72 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.87 160.24 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.33 128.21 8.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.444 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 57.76 45.12 19.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.6 148.29 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.3 p -98.08 133.76 42.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -41.98 -45.58 3.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 m -38.61 -41.95 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.26 -57.65 11.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.9 t -60.77 -45.5 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.38 -62.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.4 -17.29 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.5 mt -89.77 -20.19 23.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.3 0.77 35.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.453 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.1 mt -78.84 -41.86 1.74 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 67.2 Cg_exo -48.04 -29.34 11.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.291 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.507 ' CZ ' ' HA ' ' A' ' 110' ' ' MET . 55.9 m-85 -92.58 -49.99 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -162.08 172.33 38.19 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.92 132.61 37.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 23.7 t -80.83 127.57 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.0 p -114.84 -42.19 3.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -128.75 126.83 40.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.3 tt -141.56 144.16 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 tp -135.67 107.09 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.444 ' HA ' ' CB ' ' A' ' 97' ' ' ALA . 31.7 ttm -111.2 128.17 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 45.5 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -151.09 151.45 32.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 90' ' ' MET . . . -158.15 145.43 18.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -106.48 124.35 49.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.9 tp -109.05 141.08 41.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -130.14 105.89 8.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 102' ' ' ALA . 6.8 mp -75.37 162.56 28.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -36.33 -59.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.8 p -129.59 163.65 25.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -64.5 -22.78 67.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -58.28 -37.6 75.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.92 -40.18 54.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.01 -50.38 72.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 97.2 mt -51.66 -50.73 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.1 m -60.79 -44.89 96.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.507 ' HA ' ' CZ ' ' A' ' 82' ' ' PHE . 11.5 ttt -47.43 -61.74 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.7 t -56.39 -39.07 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 115' ' ' SER . 26.0 m120 -58.83 -57.29 13.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -43.64 -45.41 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.435 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 34.9 m-85 -71.44 -27.61 63.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 112' ' ' ASN . 6.0 t -38.73 -31.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -110.4 -37.59 5.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.5 t -93.14 134.73 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.492 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 11.4 m -100.99 107.64 50.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.71 . . . . 0.0 111.057 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.435 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.6 Cg_endo -77.28 144.95 23.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 118' ' ' THR . 30.6 m-70 -145.24 121.95 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.3 mt -101.51 136.27 41.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 54.99 30.45 14.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 45.7 t30 73.08 35.17 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -145.8 144.56 22.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.9 147.3 30.51 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.619 2.212 . . . . 0.0 112.356 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 13.4 pt -115.99 157.39 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.512 ' CE1' ' HD3' ' A' ' 65' ' ' LYS . 4.7 m-30 -101.49 130.16 47.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.1 mt -135.17 133.87 52.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 33.4 tp60 -165.27 146.3 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.41 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 3.2 m-85 -53.41 165.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.808 0.337 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -76.11 -30.48 58.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.1 t -95.05 137.29 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.9 mt -114.91 143.37 45.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.547 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 24.9 t-80 -103.16 136.67 42.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.482 ' CG2' ' O ' ' A' ' 127' ' ' TYR . 16.0 mt -128.16 140.42 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.061 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.547 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -130.28 177.27 7.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 29.9 mmtm 57.82 41.88 24.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.402 ' CD1' ' HB2' ' A' ' 97' ' ' ALA . 86.6 mt -70.3 141.32 88.46 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.634 0.731 . . . . 0.0 110.946 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.5 148.31 5.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.2 113.25 5.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 66.42 47.14 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 p -81.61 148.73 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.2 p -103.59 145.14 30.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -46.51 -46.7 19.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 92.4 m -41.5 -36.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.96 -67.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.0 t -53.91 -39.64 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.94 -53.25 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.03 -15.67 5.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.4 mt -94.78 -17.86 21.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.88 -4.45 48.41 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.476 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.1 mt -76.56 -41.78 2.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.3 Cg_exo -47.99 -36.37 27.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.27 . . . . 0.0 112.364 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.547 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 48.9 m-85 -82.03 -50.78 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -157.39 -147.94 4.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -112.96 137.5 51.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.7 t -80.68 125.04 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.158 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.3 p -106.6 -32.95 7.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -152.14 133.17 14.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.3 tt -137.32 151.96 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.9 tp -136.78 121.07 18.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 37.2 tpp -115.13 106.28 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.2 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.915 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.785 0.326 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -129.15 148.64 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . . . -152.1 161.08 43.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.466 ' CZ ' ' CD2' ' A' ' 62' ' ' HIS . 71.2 m-85 -131.68 125.21 31.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.9 tp -109.41 143.84 38.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -132.97 115.42 15.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.825 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 7.4 mp -87.03 155.07 20.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.84 -49.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.8 p -133.66 155.76 49.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -63.02 -17.87 62.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.85 -49.44 76.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.428 ' HB3' ' CD2' ' A' ' 101' ' ' LEU . . . -65.28 -24.52 67.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.46 -56.82 4.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.1 mt -50.06 -49.14 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.3 m -59.91 -46.35 89.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.547 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 9.0 ttt -46.03 -60.79 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.2 t -55.47 -46.6 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -48.23 -49.42 33.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -57.62 -28.7 63.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.556 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 17.3 m-85 -83.64 -31.35 26.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.5 t -41.29 -38.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.39 -43.14 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 86.1 t -85.87 134.01 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.543 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 18.6 m -102.93 105.74 46.9 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.608 0.718 . . . . 0.0 111.13 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.556 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.2 Cg_endo -78.41 147.71 23.0 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' A' ' 118' ' ' THR . 1.9 m80 -141.88 115.91 9.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 25.5 mt -90.29 146.04 24.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 11.3 mmm-85 43.38 39.86 2.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 62.8 48.29 4.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -165.51 133.51 2.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.744 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.8 165.93 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.439 ' CD1' HD11 ' A' ' 128' ' ' ILE . 49.1 pt -144.41 153.7 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.515 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 11.0 m-30 -97.72 124.8 42.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.439 HD11 ' CD1' ' A' ' 126' ' ' ILE . 60.8 mt -133.92 126.49 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -161.38 179.14 8.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -78.14 147.7 34.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.1 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.86 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -87.18 32.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.6 t -136.49 146.44 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.3 mt -129.02 119.59 24.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.615 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 9.6 t-80 -92.74 137.21 32.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.48 ' CG2' ' O ' ' A' ' 127' ' ' TYR . 38.1 mt -129.91 138.84 53.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.615 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -125.04 -176.49 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 44.1 mmtm 48.42 46.21 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.4 mt -68.5 140.0 92.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.949 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.72 142.57 14.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.5 120.77 17.69 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 57.54 54.58 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.7 p -89.94 158.48 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 57.9 p -116.32 146.11 42.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -47.03 -39.24 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 86.6 m -45.15 -31.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.95 -59.83 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.2 t -59.14 -32.28 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 74.0 mt -71.04 -59.57 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.85 -15.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.5 mt -97.97 -23.45 15.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -95.11 -14.72 47.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.634 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.7 mt -68.58 -41.86 24.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.4 Cg_exo -47.98 -36.12 26.79 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.701 2.267 . . . . 0.0 112.311 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.461 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 93.2 m-85 -90.81 -50.31 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.11 172.91 36.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 43.6 tptt -76.04 148.8 37.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 0.0 110.849 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 73.7 t -96.11 116.67 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.8 p -99.11 -44.88 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -127.91 137.17 52.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.7 tt -143.66 144.17 23.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.1 tp -132.78 112.37 11.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 38.6 tpp -114.18 115.85 28.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.4 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.899 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -142.32 146.48 35.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -153.62 139.12 17.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 62' ' ' HIS . 90.3 m-85 -109.92 126.11 53.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.1 tp -111.18 150.09 30.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -138.53 131.41 29.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 102' ' ' ALA . 7.3 mp -101.76 157.63 16.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -37.08 -56.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.7 p -127.98 157.82 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -60.41 -31.43 70.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.01 -41.5 64.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.78 73.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.32 -56.62 19.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.0 mt -43.25 -52.83 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.9 m -58.64 -44.66 90.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.461 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 19.3 ttt -51.64 -67.41 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.423 HG21 ' CE1' ' A' ' 130' ' ' TYR . 84.8 t -40.44 -60.11 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.8 m-80 -42.72 -61.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 112' ' ' ASN . 70.3 t80 -36.76 -35.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.533 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 43.1 m-85 -90.91 -34.52 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 112' ' ' ASN . 11.4 t -38.3 -38.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.81 -39.76 7.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.2 t -93.4 130.06 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 88.7 m -100.21 104.82 32.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.646 0.736 . . . . 0.0 111.174 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.533 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.4 Cg_endo -75.74 175.61 11.07 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.388 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 69.5 m80 -160.89 119.97 2.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.79 133.32 45.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 46.9 43.17 13.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 62.53 42.76 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.422 ' CD ' ' HD2' ' A' ' 125' ' ' PRO . 13.7 tp60 -151.21 139.39 12.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.422 ' HD2' ' CD ' ' A' ' 124' ' ' GLN . 61.0 Cg_endo -75.16 145.85 31.41 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 45.7 pt -119.2 156.44 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.48 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 9.3 m-30 -105.21 134.37 48.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.0 mt -134.6 121.22 34.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -153.44 160.83 42.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.423 ' CE1' HG21 ' A' ' 111' ' ' VAL . 2.9 m-85 -72.57 161.96 30.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 86.8 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.861 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.918 0.39 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.1 ptt-85 -62.85 -33.16 74.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.8 t -90.47 133.26 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.1 mt -115.74 152.11 33.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.583 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 8.7 t-80 -111.28 128.1 55.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.1 mt -121.06 144.4 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.583 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -139.73 -179.7 6.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.542 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 1.5 mmmp? 60.6 27.28 16.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.9 mt -74.97 143.73 78.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.551 0.691 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -47.07 158.82 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.391 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.33 135.06 23.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 46.03 45.75 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.378 . . . . 0.0 110.93 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -78.67 146.6 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.1 p -86.74 158.96 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' GLU . 49.8 mt-10 -65.05 -48.4 73.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' GLU . 96.6 m -35.66 -33.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' GLU . 4.0 mm-40 -65.74 -59.06 4.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 t -66.58 -26.2 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 81.9 mt -73.15 -49.44 38.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.1 -12.45 55.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.4 mt -91.66 -29.09 17.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.95 -9.82 47.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.644 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.7 mt -77.99 -41.74 2.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.973 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.2 Cg_exo -48.06 -30.29 13.86 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.626 2.217 . . . . 0.0 112.348 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.476 ' CE2' ' HG2' ' A' ' 110' ' ' MET . 73.0 m-85 -88.07 -48.98 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -151.03 -144.74 3.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 36.5 tptt -113.84 147.83 37.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 18.0 t -101.57 127.95 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.144 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.8 p -112.44 -39.1 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -139.82 139.51 36.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.1 tt -140.16 143.74 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.8 tp -125.64 115.85 20.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.448 ' HG2' ' CB ' ' A' ' 97' ' ' ALA . 20.7 mtp -124.08 123.93 41.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 96' ' ' GLN . 31.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.1 p30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.769 0.318 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.44 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 31.5 mt-30 -149.17 141.9 24.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.448 ' CB ' ' HG2' ' A' ' 90' ' ' MET . . . -163.37 136.85 5.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -102.34 156.71 17.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.4 tp -128.8 142.35 51.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -131.82 109.99 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.413 HD13 ' N ' ' A' ' 101' ' ' LEU . 6.5 mp -93.15 168.82 10.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.18 -55.43 35.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 58.6 p -112.61 127.58 56.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.168 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -48.3 -34.77 11.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -47.09 -52.35 15.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.5 -49.85 63.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.92 49.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 96.2 mt -54.61 -49.42 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.9 m -58.52 -42.69 88.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.189 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.476 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -52.44 -53.79 40.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.843 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.7 t -59.34 -41.09 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -61.58 -57.42 12.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -49.18 -39.89 31.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -78.72 -21.38 48.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.4 t -46.35 -38.25 8.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.5 -42.16 9.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.5 t -94.1 123.45 46.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.457 HG23 ' CE1' ' A' ' 120' ' ' HIS . 33.4 m -100.0 104.79 31.16 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.603 0.716 . . . . 0.0 111.094 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.508 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 60.8 Cg_endo -74.55 174.87 11.87 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 20.0 m-70 -161.1 118.14 2.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.401 ' CD2' ' OE2' ' A' ' 74' ' ' GLU . 22.5 mt -101.16 143.54 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 58.47 28.62 17.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 39.0 t30 70.78 31.32 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -147.33 149.93 36.15 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.642 0.734 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.56 144.07 31.46 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.682 2.255 . . . . 0.0 112.361 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.7 pt -108.12 163.69 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.542 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 7.4 m-30 -109.24 132.01 54.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.5 mt -131.14 132.35 63.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 3.2 tp-100 -163.34 150.17 12.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 21.0 m-85 -63.82 162.28 13.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 -179.838 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.88 0.372 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.424 ' CG ' ' HB2' ' A' ' 104' ' ' GLU . 58.9 mtp180 -77.93 -36.3 49.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.1 t -84.71 142.22 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.6 mt -116.97 135.1 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.53 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 12.3 t-80 -93.87 126.97 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.4 mt -124.09 139.96 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.53 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -136.29 176.68 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm 60.76 39.68 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.4 mt -75.08 138.6 72.46 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.648 0.737 . . . . 0.0 110.937 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -48.01 170.38 0.06 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.73 2.287 . . . . 0.0 112.337 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.16 134.63 12.88 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 54.62 43.98 29.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 p -87.42 141.17 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 72' ' ' GLU . 62.5 p -97.65 132.14 43.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.103 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' THR . 13.7 mp0 -37.43 -37.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.806 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.3 m -37.89 -50.53 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.14 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -48.81 -27.48 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 80.4 mt -75.49 -57.03 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.85 -12.77 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.6 mt -91.23 -27.71 18.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -100.17 -6.11 53.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.543 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 27.8 mt -78.36 -41.89 1.96 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.85 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.1 Cg_exo -47.95 -26.12 7.07 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -97.03 -48.38 5.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.44 -138.95 3.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -128.14 135.51 49.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.9 t -88.66 124.28 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 p -107.92 -39.26 5.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -132.59 130.94 40.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.422 HG12 ' N ' ' A' ' 89' ' ' LEU . 2.9 tt -142.3 147.52 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.422 ' N ' HG12 ' A' ' 88' ' ' ILE . 12.0 tp -138.3 123.5 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.3 ttm -121.24 119.25 31.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.4 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.921 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.748 0.309 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -154.2 145.54 22.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -153.05 134.59 14.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 98' ' ' PHE . 3.1 m-85 -103.16 131.15 50.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.0 tp -116.71 148.19 41.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -144.54 128.42 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 101' ' ' LEU . 5.6 mp -101.29 -177.12 3.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.22 95.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.7 p -126.36 178.41 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 107' ' ' ALA . 34.3 tt0 -91.42 -50.77 5.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 104' ' ' GLU . 43.1 mt-10 -35.04 -40.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.89 87.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 104' ' ' GLU . . . -55.89 -60.35 3.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 81.4 mt -41.28 -38.75 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.6 m -75.76 -39.79 56.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.5 ttt -56.9 -46.32 82.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.4 t -67.42 -37.12 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.57 -48.56 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -51.22 -33.51 28.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.401 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 55.8 m-85 -93.34 -25.15 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.934 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.0 t -45.47 -31.58 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.12 -32.93 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.1 t -98.53 134.22 38.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.461 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 25.5 m -102.55 103.82 34.33 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.545 0.688 . . . . 0.0 111.17 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.512 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 61.2 Cg_endo -75.31 172.54 16.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 57.8 m80 -160.6 115.78 2.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 124' ' ' GLN . 31.5 mt -95.91 136.55 36.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 52.76 43.95 30.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 60.28 35.42 20.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.462 ' NE2' ' HD2' ' A' ' 125' ' ' PRO . 14.6 mm100 -149.01 149.2 29.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.547 0.689 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.462 ' HD2' ' NE2' ' A' ' 124' ' ' GLN . 60.1 Cg_endo -73.29 157.66 49.61 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.391 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 48.8 pt -131.85 162.64 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -106.65 126.78 52.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 42.8 mt -130.76 124.43 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.476 ' CG ' ' N ' ' A' ' 130' ' ' TYR . 38.6 tt0 -162.11 168.41 22.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.476 ' N ' ' CG ' ' A' ' 129' ' ' GLN . 3.5 m-85 -62.85 165.77 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.819 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -80.3 -45.23 18.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 98' ' ' PHE . 58.4 t -82.98 144.89 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 mt -117.52 142.11 47.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.616 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 15.6 t-80 -97.12 130.04 44.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 64' ' ' ARG . 15.2 mt -124.53 144.49 34.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.616 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -133.96 174.89 9.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.555 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 2.6 mmmp? 53.15 46.13 27.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.9 mt -73.96 139.64 76.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -47.7 153.33 2.36 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.715 2.277 . . . . 0.0 112.296 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.36 142.43 42.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 41.8 47.1 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 p -88.04 148.72 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.7 p -109.14 148.88 30.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -45.07 -42.53 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 91.8 m -38.2 -41.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.12 -60.18 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.6 t -56.42 -37.49 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.4 mt -68.24 -46.62 80.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.45 -23.41 38.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.5 mt -89.05 -18.67 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.1 -20.4 18.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.378 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.649 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 26.1 mt -63.76 -41.93 67.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.56 0.695 . . . . 0.0 110.834 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.2 Cg_exo -47.88 -48.43 16.16 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -74.79 -43.02 56.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.65 -120.05 0.53 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -144.45 144.99 31.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.3 t -89.94 114.05 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.424 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 44.4 p -93.71 -42.69 9.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.424 ' OD1' ' C ' ' A' ' 86' ' ' THR . 5.7 m-20 -134.41 130.32 36.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 tt -129.35 156.63 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.1 tp -144.52 111.0 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.974 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.6 tpp -110.26 118.31 35.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.8 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -115.69 148.52 39.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.16 142.71 19.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.466 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 65.4 m-85 -112.28 128.12 56.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 tp -113.08 145.4 40.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -131.35 132.94 44.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 101' ' ' LEU . 7.1 mp -101.3 162.99 12.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.52 -53.5 37.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.6 p -111.42 156.86 20.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.5 -22.8 56.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.2 -47.65 83.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.18 -40.0 60.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.99 -59.22 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.047 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.8 mt -49.39 -52.33 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.8 m -65.05 -35.26 80.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 23.1 ttt -57.44 -59.17 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.501 HG23 ' CE1' ' A' ' 130' ' ' TYR . 86.2 t -46.08 -61.91 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -41.28 -55.37 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -39.18 -36.12 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 115' ' ' SER . 29.2 m-85 -90.67 -36.63 14.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 114' ' ' TYR . 38.5 t -35.14 -38.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.31 -44.75 6.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 87.1 t -91.61 129.57 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.442 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 90.3 m -100.42 109.88 58.41 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.591 0.71 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.434 ' C ' ' CG ' ' A' ' 120' ' ' HIS . 59.8 Cg_endo -73.7 170.22 20.53 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.301 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 118' ' ' THR . 21.8 m-70 -157.13 114.23 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 23.4 mt -91.94 135.4 33.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 47.07 40.12 9.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 41.5 t30 64.67 43.44 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -153.13 146.26 17.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.85 144.53 27.64 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 37.5 pt -119.86 167.59 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 65' ' ' LYS . 16.5 m-30 -111.66 134.92 52.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.468 HG21 ' N ' ' A' ' 129' ' ' GLN . 58.0 mt -137.37 139.19 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.093 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.468 ' N ' HG21 ' A' ' 128' ' ' ILE . 21.7 tt0 -170.93 152.8 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.501 ' CE1' HG23 ' A' ' 111' ' ' VAL . 7.4 m-85 -53.05 138.97 29.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -83.62 19.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.2 t -131.19 122.56 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.2 mt -110.82 131.82 54.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.488 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 35.5 t-80 -90.28 144.84 25.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.774 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 127' ' ' TYR . 8.1 mt -140.13 135.16 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.488 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -129.77 -175.99 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.421 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 27.1 mmtp 54.05 39.49 30.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.7 mt -68.36 141.09 93.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.72 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -47.78 161.85 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.5 118.94 8.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.439 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 60.15 45.28 11.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 71' ' ' THR . 9.8 p -77.21 158.29 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.423 ' N ' HG22 ' A' ' 70' ' ' VAL . 70.9 p -111.09 152.05 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -54.18 -42.33 69.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 93.5 m -42.39 -34.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.169 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.06 -65.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.27 -26.14 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 88.4 mt -77.2 -48.85 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.1 -17.15 61.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.0 mt -90.35 -15.79 30.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.25 -12.42 19.87 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.644 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 18.0 mt -70.65 -41.86 13.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.729 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.2 Cg_exo -47.93 -40.02 32.57 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 56.8 m-85 -82.51 -50.73 8.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.61 -125.5 1.57 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.89 130.8 20.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 55.9 t -79.02 113.61 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 p -99.36 -36.87 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -133.84 128.24 34.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.6 tt -135.41 151.37 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.8 tp -139.38 120.88 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.6 ttm -117.97 119.34 34.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.796 0.332 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -143.52 138.67 29.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -153.3 140.65 19.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.428 ' CE2' ' CD2' ' A' ' 62' ' ' HIS . 14.7 m-85 -110.69 124.14 51.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.0 tp -111.32 145.28 39.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -135.75 128.22 30.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.6 168.55 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.87 -39.9 69.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 66.6 p -128.3 162.91 25.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.91 -25.04 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -67.59 -30.56 70.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.43 -14.77 61.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.06 -39.64 14.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.12 -49.85 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.6 m -66.12 -28.25 68.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.486 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 15.5 ttt -64.65 -61.16 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.0 t -48.59 -54.44 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -39.56 -55.05 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -43.65 -38.16 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.551 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 32.2 m-85 -88.53 -30.69 19.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.1 t -41.32 -37.19 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.11 -38.86 6.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.54 133.49 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.539 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 21.4 m -102.71 103.19 31.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.556 0.693 . . . . 0.0 111.174 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.551 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.1 Cg_endo -75.63 173.96 13.62 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 118' ' ' THR . 43.1 m80 -160.04 118.4 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.5 143.23 27.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 46.51 34.14 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.9 m120 67.18 46.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -163.37 132.43 2.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.23 163.08 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 23.6 pt -140.75 149.85 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.503 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 6.3 m-30 -97.63 131.47 44.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 68.5 mt -138.38 121.6 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.42 ' HG3' ' NH1' ' A' ' 64' ' ' ARG . 26.2 mt-30 -148.03 -178.22 6.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -88.83 175.83 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.79 -179.847 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.452 ' CG ' ' HB3' ' A' ' 104' ' ' GLU . 60.8 mtp180 -83.26 -32.63 26.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.7 t -89.06 137.91 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.3 mt -113.81 137.43 51.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.549 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 30.9 t-80 -93.62 140.79 29.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.6 mt -133.62 134.1 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.549 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -128.91 173.02 10.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 0.0 OUTLIER 55.22 49.24 17.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 97' ' ' ALA . 41.7 mt -88.5 144.5 33.79 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.579 0.704 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -47.67 131.53 20.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.377 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.82 118.55 3.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 60.24 49.52 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.1 p -77.52 142.67 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.4 p -88.24 134.12 33.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' THR . 15.3 mt-10 -39.9 -52.22 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' GLU . 84.8 m -35.43 -40.65 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.06 -59.68 4.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.1 -45.47 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 63.5 mt -53.95 -55.54 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.44 -23.76 10.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.039 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.9 mt -85.69 -20.57 29.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.418 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -100.58 -21.83 12.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.433 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.631 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 24.6 mt -58.3 -41.97 92.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.581 0.705 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.2 Cg_exo -47.96 -44.45 27.53 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.54 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 24.7 m-85 -87.13 -50.47 6.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.45 164.77 31.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.429 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 85' ' ' VAL . 1.6 tmtp? -79.32 137.3 37.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.418 ' N ' ' HD3' ' A' ' 84' ' ' LYS . 97.8 t -81.19 113.36 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.0 p -99.22 -32.68 11.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -138.94 126.65 22.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.9 tt -129.78 155.86 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.4 tp -144.47 113.54 6.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 ttm -116.23 119.93 37.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 . . . . . 0 C--O 1.23 0.03 0 CA-C-O 120.761 0.315 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -141.57 145.81 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.457 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . . . -155.24 145.21 21.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -114.83 122.37 46.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.7 tp -108.94 145.74 34.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.444 ' OE1' ' C ' ' A' ' 59' ' ' ARG . 3.4 tp10 -133.07 125.3 29.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 101' ' ' LEU . 6.0 mp -94.55 160.63 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.0 -59.28 2.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.0 p -113.08 171.47 7.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.452 ' HB3' ' CG ' ' A' ' 59' ' ' ARG . 16.7 pt-20 -73.33 -47.56 41.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -49.13 -42.42 39.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.407 ' C ' HD22 ' A' ' 101' ' ' LEU . . . -53.42 -43.2 67.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.46 -41.64 75.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 81.8 mt -52.15 -59.36 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.6 m -53.51 -47.09 70.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.54 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 24.6 ttt -44.02 -61.13 1.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.5 t -55.92 -46.35 80.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' SER . 19.8 m120 -53.46 -59.84 4.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -40.48 -44.18 1.99 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.462 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 28.1 m-85 -75.16 -34.01 61.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 114' ' ' TYR . 30.2 t -36.65 -38.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.8 -40.88 7.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.8 t -94.73 129.2 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 48.7 m -101.38 106.4 45.44 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.542 0.687 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.462 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.0 Cg_endo -75.48 158.68 40.21 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -144.09 112.16 6.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.2 mt -90.79 129.95 36.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 47.37 41.29 12.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.2 m120 59.13 44.88 15.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -153.14 105.01 2.62 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.601 0.715 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -42.47 141.2 2.34 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.775 2.317 . . . . 0.0 112.302 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 32.2 pt -116.04 162.36 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.42 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 13.2 m-30 -108.57 136.82 47.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 67.9 mt -141.67 119.19 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -155.41 156.5 35.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -60.26 151.06 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.843 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.942 0.401 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -79.7 -40.97 27.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 61' ' ' LEU . 78.8 t -84.55 145.58 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.421 ' N ' HG12 ' A' ' 60' ' ' VAL . 68.0 mt -115.4 140.37 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.455 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 9.7 t-80 -96.67 115.38 27.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.4 mt -107.82 143.17 18.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.455 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -142.01 168.12 20.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 65' ' ' LYS . 1.1 mptp? 59.34 40.55 21.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.3 mt -72.61 143.93 85.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -46.9 165.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.732 2.288 . . . . 0.0 112.309 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.403 ' C ' ' CG ' ' A' ' 69' ' ' GLU . . . -74.19 137.26 22.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' CG ' ' C ' ' A' ' 68' ' ' GLY . 3.5 pt-20 40.66 49.99 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.951 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 p -83.47 141.2 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.6 p -92.04 144.88 25.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -44.47 -44.07 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.2 m -38.99 -39.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.165 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.73 -47.86 73.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.71 -14.59 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.1 mt -90.23 -49.97 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -13.01 27.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.4 HD12 ' CD2' ' A' ' 121' ' ' LEU . 79.6 mt -96.22 -10.72 27.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -113.23 -16.87 8.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.509 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.648 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 27.9 mt -67.09 -41.72 36.72 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.664 0.745 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.4 Cg_exo -47.98 -38.69 31.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.744 2.296 . . . . 0.0 112.347 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -87.83 -46.22 9.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -163.59 164.92 36.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -69.41 134.1 48.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.3 t -81.24 120.44 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.429 ' CG2' ' HA ' ' A' ' 102' ' ' ALA . 65.1 p -92.61 -43.25 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -142.63 145.63 33.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.9 tt -143.59 140.22 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.3 tp -129.34 119.53 24.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.1 ttm -114.83 113.53 24.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.7 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.698 0.285 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -158.71 134.43 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -154.28 130.94 10.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -96.95 128.86 44.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.7 tp -114.24 143.45 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -131.84 131.99 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.87 174.16 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.429 ' HA ' ' CG2' ' A' ' 86' ' ' THR . . . -47.49 -52.65 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 76.6 p -134.08 -179.42 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -76.23 -38.9 55.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -50.42 -32.43 17.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.15 -41.75 63.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.88 -55.49 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.9 mt -40.91 -62.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 110' ' ' MET . 77.8 m -47.4 -54.09 12.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 109' ' ' THR . 9.7 ttt -34.54 -64.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.7 t -54.69 -43.25 65.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -57.49 -62.46 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -45.53 -39.25 7.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 116' ' ' ALA . 25.3 m-85 -74.21 -35.19 63.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 114' ' ' TYR . 28.6 t -37.81 -32.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 114' ' ' TYR . . . -103.28 -46.35 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.9 t -94.66 132.27 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.566 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 20.7 m -101.77 122.28 48.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.545 0.688 . . . . 0.0 111.136 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.03 160.65 33.34 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.682 2.255 . . . . 0.0 112.388 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.566 ' CE1' ' O ' ' A' ' 118' ' ' THR . 20.7 m80 -152.25 109.82 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.4 ' CD2' HD12 ' A' ' 78' ' ' LEU . 23.2 mt -94.77 123.84 38.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? 52.12 39.28 26.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 63.51 37.84 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -145.72 104.88 4.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.61 0.719 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -44.41 148.96 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.604 2.203 . . . . 0.0 112.439 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 40.4 pt -128.51 159.64 39.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.402 ' CG ' ' HD3' ' A' ' 65' ' ' LYS . 6.0 m-30 -104.21 135.83 44.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 52.7 mt -142.3 129.6 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -158.73 -179.0 7.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -73.48 161.49 30.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.842 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.901 0.382 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -59.37 -44.72 92.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 98' ' ' PHE . 90.2 t -83.16 131.86 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.4 mt -99.21 127.52 45.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.565 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 9.1 t-80 -93.17 109.2 20.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 64' ' ' ARG . 32.5 mt -109.65 142.87 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.565 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -139.77 176.75 8.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 0.0 OUTLIER 57.13 42.21 26.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.9 mt -67.44 141.68 95.82 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.632 0.729 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.77 145.97 9.0 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.89 123.74 31.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 54.32 48.08 21.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.878 0.37 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 p -81.45 159.4 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.0 p -112.28 135.41 52.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.08 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -40.93 -44.47 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.9 m -42.32 -41.81 2.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.59 -58.15 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.39 -33.69 62.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.1 mt -67.77 -67.94 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.58 -21.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.422 ' C ' ' HD2' ' A' ' 81' ' ' PRO . 50.3 mt -86.75 -30.0 21.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.43 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -91.25 -23.34 29.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.433 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.631 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 22.2 mt -56.7 -42.56 96.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.528 0.68 . . . . 0.0 110.935 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.1 Cg_exo -47.96 -54.12 5.67 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 48.8 m-85 -63.95 -51.21 65.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.87 -171.86 21.36 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 85' ' ' VAL . 0.2 OUTLIER -87.42 142.32 27.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.854 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.425 ' N ' ' HD3' ' A' ' 84' ' ' LYS . 70.6 t -91.89 109.43 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.7 p -95.21 -48.16 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -130.68 143.38 50.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.8 tt -143.33 141.5 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.8 tp -136.66 109.03 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.3 ttm -114.18 111.99 22.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.0 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.785 0.326 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -155.34 138.47 15.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -150.76 143.31 24.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.431 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 48.2 m-85 -114.1 120.69 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.7 tp -109.59 129.37 55.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -116.4 117.46 29.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' ALA . 6.5 mp -92.12 162.07 14.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -36.79 -60.29 0.62 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.9 p -123.71 158.58 31.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 105' ' ' GLU . 7.1 pt-20 -61.92 -46.06 91.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 104' ' ' GLU . 10.9 tt0 -36.57 -49.89 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.01 76.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.79 -57.97 7.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.1 mt -47.08 -63.95 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.6 m -37.88 -47.48 1.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.564 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 10.1 ttt -63.04 -48.28 79.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.815 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 82.6 t -55.13 -40.4 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.165 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 113' ' ' TYR . 1.7 m-80 -67.16 -61.45 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 112' ' ' ASN . 48.0 t80 -37.84 -38.59 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.541 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 30.9 m-85 -88.07 -38.95 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' TYR . 12.6 t -35.02 -39.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.92 -40.97 8.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.9 t -95.79 128.87 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.0 m -99.9 104.52 29.11 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.534 0.683 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.546 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 60.8 Cg_endo -74.82 -177.23 3.28 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.751 2.301 . . . . 0.0 112.356 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 21.6 m-70 -162.57 119.22 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.4 mt -102.13 127.95 48.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 56.7 mtp85 48.77 40.42 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 27.5 t30 61.41 42.89 11.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -151.31 105.03 2.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -43.39 151.98 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 43.8 pt -126.67 148.45 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.515 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 3.4 m-85 -103.24 144.47 31.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 127' ' ' TYR . 59.5 mt -145.9 131.61 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 130' ' ' TYR . 53.3 tt0 -171.24 160.36 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.457 ' N ' ' HG2' ' A' ' 129' ' ' GLN . 5.6 m-85 -67.94 137.18 54.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.853 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -62.82 -28.73 70.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.4 t -100.86 126.47 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.1 mt -109.02 140.48 42.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.569 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 33.1 t-80 -95.88 141.11 29.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 127' ' ' TYR . 29.3 mt -133.44 140.86 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -130.3 172.27 12.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 0.1 OUTLIER 60.49 40.95 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.5 mt -79.04 143.91 62.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.613 0.721 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.21 127.56 13.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.24 . . . . 0.0 112.418 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -42.48 118.25 1.66 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 59.18 48.52 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.4 p -75.22 152.6 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.4 p -96.3 134.24 39.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -43.23 -49.33 6.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 86.8 m -40.8 -36.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.182 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -61.45 -67.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 t -56.42 -33.09 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 74.7 mt -67.95 -44.25 85.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.46 -16.74 61.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 65.9 mt -90.79 -18.76 24.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.409 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -99.64 -23.23 11.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.522 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 19.8 mt -59.3 -41.87 89.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.5 Cg_exo -47.88 -41.4 32.27 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.371 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -90.81 -50.52 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.12 165.57 32.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -74.49 156.05 37.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.34 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.54 137.65 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.19 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.1 p -116.92 -38.79 3.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -137.35 135.36 36.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.5 tt -143.19 138.74 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.0 tp -131.05 111.92 12.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.3 tpp -107.06 125.12 50.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.453 HD13 ' NE2' ' A' ' 96' ' ' GLN . 91.3 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' LYS . 2.1 m-80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.774 0.321 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.453 ' NE2' HD13 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -156.66 162.0 39.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -163.36 156.29 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.551 ' CZ ' ' CD2' ' A' ' 62' ' ' HIS . 40.9 m-85 -113.97 124.75 52.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.2 tp -109.26 147.81 32.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -137.49 123.48 20.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.1 mp -100.29 159.66 14.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.49 -57.2 9.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.035 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.3 p -99.75 159.46 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.98 -24.95 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -65.88 -29.37 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.89 87.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.12 -49.96 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 80.5 mt -45.6 -59.2 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 79.0 m -64.34 -34.71 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 24.2 ttt -56.18 -64.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 130' ' ' TYR . 61.5 t -45.23 -55.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.7 m-80 -44.68 -59.85 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ASN . 90.5 t80 -37.68 -41.72 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.541 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 40.4 m-85 -84.68 -32.3 23.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 112' ' ' ASN . 22.6 t -36.52 -43.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.34 -39.43 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 65.7 t -87.36 129.7 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.419 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 20.0 m -100.14 106.49 42.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.541 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.8 Cg_endo -77.81 172.27 15.95 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.766 2.31 . . . . 0.0 112.348 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.469 ' CG ' ' C ' ' A' ' 119' ' ' PRO . 13.3 m-70 -159.08 109.46 2.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 26.3 mt -89.94 137.56 32.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 45.83 36.38 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 13.2 m120 65.11 46.08 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -158.45 113.48 1.7 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -43.53 153.32 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 24.8 pt -128.72 160.74 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.489 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 11.5 m-30 -108.11 134.55 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.2 mt -133.54 124.86 49.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 7.0 tp-100 -155.89 158.33 37.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.562 ' CE1' HG21 ' A' ' 111' ' ' VAL . 4.1 m-85 -68.08 156.59 37.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.836 -179.908 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -81.0 -38.21 27.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.8 t -85.07 133.55 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.1 mt -114.99 139.85 49.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.689 ' CE1' ' CD ' ' A' ' 64' ' ' ARG . 9.7 t-160 -87.92 117.24 26.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.5 mt -112.35 137.06 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.689 ' CD ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -146.82 172.19 14.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.458 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 22.5 mmmt 62.36 32.26 16.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 86.5 mt -73.75 144.29 82.79 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.712 0.768 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -46.4 138.39 13.8 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.6 119.7 10.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 61.73 42.68 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.67 140.21 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.8 p -89.47 136.9 32.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -40.36 -48.15 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 90.3 m -37.6 -40.39 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -60.4 -67.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.0 t -52.83 -40.32 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.87 -55.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.12 -20.03 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.3 mt -88.63 -24.15 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -94.86 -21.37 26.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.515 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.648 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 24.5 mt -62.02 -41.91 78.86 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.8 Cg_exo -48.03 -50.76 11.2 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.631 2.22 . . . . 0.0 112.303 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.562 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 61.2 m-85 -69.26 -46.22 67.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.17 -98.64 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.539 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -166.71 135.07 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.418 ' CG1' HD13 ' A' ' 99' ' ' LEU . 74.9 t -79.67 118.65 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.44 ' CG2' ' HA ' ' A' ' 102' ' ' ALA . 82.2 p -99.23 -41.75 7.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -136.62 124.21 22.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.4 tt -124.56 151.69 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.485 HD23 ' CD1' ' A' ' 98' ' ' PHE . 19.9 tp -137.1 115.82 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.7 ttm -112.79 130.03 56.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.0 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.731 0.301 . . . . 0.0 110.865 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 95' ' ' ASN . 51.5 mt-30 -162.84 138.78 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -165.43 157.23 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.485 ' CD1' HD23 ' A' ' 89' ' ' LEU . 14.4 m-85 -130.65 132.42 45.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.418 HD13 ' CG1' ' A' ' 85' ' ' VAL . 8.8 tp -112.84 146.68 38.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -133.5 107.97 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.85 154.5 40.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.44 ' HA ' ' CG2' ' A' ' 86' ' ' THR . . . -39.24 -52.78 1.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 62.2 p -133.2 167.77 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.115 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 105' ' ' GLU . 11.5 pt-20 -66.48 -44.79 81.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 9.6 tt0 -37.86 -43.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.5 -46.38 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.065 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.41 -51.73 63.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.0 mt -50.88 -53.79 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.6 m -63.86 -37.64 88.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.562 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 9.7 ttt -53.76 -65.73 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.556 HG21 ' CE1' ' A' ' 130' ' ' TYR . 87.2 t -42.68 -61.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.7 m-80 -38.51 -59.91 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -37.47 -38.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 115' ' ' SER . 34.5 m-85 -88.75 -35.82 16.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 114' ' ' TYR . 17.7 t -36.24 -39.1 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.93 -42.62 6.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.068 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.2 t -92.78 132.6 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 26.4 m -101.12 109.79 59.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.71 . . . . 0.0 111.179 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.513 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 60.9 Cg_endo -75.38 168.82 23.76 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.513 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 23.8 m-70 -161.33 119.33 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.7 mt -100.16 137.86 38.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 49.74 43.02 24.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 61.18 39.97 15.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -150.54 146.51 19.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.529 0.681 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.31 151.55 43.35 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.624 2.216 . . . . 0.0 112.389 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 37.8 pt -127.49 154.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.458 ' CE2' ' HG3' ' A' ' 65' ' ' LYS . 9.3 m-85 -99.78 136.3 39.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.417 HG13 ' C ' ' A' ' 127' ' ' TYR . 64.0 mt -146.87 124.2 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -154.11 -178.07 6.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.556 ' CE1' HG21 ' A' ' 111' ' ' VAL . 2.8 m-85 -82.81 151.28 26.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.973 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.798 -179.78 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.816 0.341 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -80.89 -35.72 32.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 61' ' ' LEU . 89.0 t -86.22 138.63 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.417 ' CD1' ' SD ' ' A' ' 110' ' ' MET . 81.4 mt -115.35 138.88 50.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.522 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 11.8 t-80 -94.28 143.75 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.5 mt -140.1 135.98 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.522 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -123.98 177.74 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt 53.22 46.92 25.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.412 HD11 ' CB ' ' A' ' 97' ' ' ALA . 34.1 mt -69.54 136.93 88.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.543 0.687 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -47.86 133.3 22.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.48 112.52 1.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 68.67 44.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.933 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.401 HG21 ' N ' ' A' ' 71' ' ' THR . 8.2 p -74.69 148.16 8.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.401 ' N ' HG21 ' A' ' 70' ' ' VAL . 36.9 p -105.42 139.88 39.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -40.19 -50.45 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.4 m -39.87 -41.72 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -55.78 -67.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.9 t -53.87 -42.83 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.1 mt -58.93 -45.93 91.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.7 -23.07 66.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.3 -13.41 35.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.2 -7.85 39.78 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.65 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 22.0 mt -78.93 -41.93 1.7 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.8 Cg_exo -47.91 -21.44 2.63 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.29 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 63.1 m-85 -102.49 -49.83 3.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.03 -129.5 1.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.71 130.22 37.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.5 t -83.47 116.35 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.0 p -96.61 -36.32 10.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -133.47 135.89 44.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.05 142.98 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.6 tp -136.22 119.22 16.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.1 ttm -122.43 120.29 33.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.8 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.794 0.331 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -139.07 157.39 46.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.412 ' CB ' HD11 ' A' ' 66' ' ' LEU . . . -165.47 139.61 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -113.47 127.32 56.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.5 tp -109.47 154.2 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -141.5 125.71 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.422 ' N ' HD13 ' A' ' 101' ' ' LEU . 6.5 mp -98.45 165.67 11.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.08 -54.55 12.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.4 p -116.28 168.51 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 107' ' ' ALA . 10.7 pt-20 -76.73 -45.93 27.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' A' ' 104' ' ' GLU . 21.8 tt0 -38.52 -53.12 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.28 -39.71 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 104' ' ' GLU . . . -62.49 -51.97 65.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.6 mt -55.65 -57.79 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.5 m -56.84 -36.68 70.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.56 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 15.3 ttt -55.99 -56.85 15.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.1 t -58.01 -42.08 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -57.35 -57.68 11.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -45.23 -36.58 4.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.459 ' CE1' ' HG3' ' A' ' 119' ' ' PRO . 21.8 m-85 -79.02 -32.0 44.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.9 t -43.38 -33.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.32 -41.01 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.06 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 89.3 t -97.38 132.21 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.464 HG21 ' CE1' ' A' ' 120' ' ' HIS . 31.9 m -104.38 104.82 46.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.58 0.705 . . . . 0.0 111.199 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.459 ' HG3' ' CE1' ' A' ' 114' ' ' TYR . 60.4 Cg_endo -74.29 167.32 27.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.464 ' CE1' HG21 ' A' ' 118' ' ' THR . 20.7 m-70 -155.67 135.71 12.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.6 mt -113.01 134.78 54.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 45.09 43.04 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 58.94 46.14 14.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -154.91 105.03 2.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.555 0.693 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -42.3 152.35 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 37.3 pt -124.8 158.51 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.175 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -107.72 133.85 51.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 53.2 mt -134.26 120.21 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.442 ' OE1' ' NH2' ' A' ' 64' ' ' ARG . 7.7 mt-30 -146.63 157.77 43.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.08 131.74 49.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.837 -179.824 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -90.92 -43.64 9.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 61' ' ' LEU . 88.6 t -83.46 142.37 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.46 ' N ' HG12 ' A' ' 60' ' ' VAL . 79.8 mt -116.03 137.32 52.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.523 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 12.0 t-160 -87.98 120.32 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.813 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.2 mt -121.1 135.58 60.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.523 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -144.51 -176.8 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.503 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 6.6 mmtp 52.17 28.34 5.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.2 mt -60.77 143.53 90.92 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.623 0.725 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -46.3 154.68 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.78 135.41 32.81 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 50.1 46.3 24.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.358 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.5 p -88.75 147.53 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.5 p -109.3 151.79 26.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 73' ' ' THR . 92.9 mt-10 -45.25 -42.65 9.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' GLU . 50.9 m -34.88 -47.03 0.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -58.43 -65.44 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.64 -31.34 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 65.4 mt -70.75 -63.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.74 -17.53 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.42 ' C ' ' HD2' ' A' ' 81' ' ' PRO . 51.2 mt -92.91 -24.42 18.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.414 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -93.14 -25.55 19.06 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 22.3 mt -58.83 -41.89 91.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.722 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.0 Cg_exo -47.98 -49.9 12.94 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.311 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 51.8 m-85 -78.49 -50.79 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.57 172.15 34.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -77.6 141.71 39.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.5 t -80.78 113.81 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.426 ' CG2' ' HA ' ' A' ' 102' ' ' ALA . 36.7 p -102.7 -44.31 5.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -134.57 126.12 28.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.6 tt -129.8 150.48 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.428 HD22 ' CD1' ' A' ' 98' ' ' PHE . 29.2 tp -139.83 123.32 17.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.2 ttm -124.23 140.54 52.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.465 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 36.8 m-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.719 0.295 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.465 ' CG ' ' O ' ' A' ' 95' ' ' ASN . 34.4 mt-30 -164.7 134.73 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -161.88 148.06 13.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.428 ' CD1' HD22 ' A' ' 89' ' ' LEU . 7.2 m-85 -120.69 135.27 55.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.2 tp -112.64 147.54 36.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -139.31 111.27 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.407 HD23 ' CB ' ' A' ' 106' ' ' ALA . 7.1 mp -82.73 151.03 26.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.426 ' HA ' ' CG2' ' A' ' 86' ' ' THR . . . -37.58 -56.17 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.3 p -113.22 153.43 28.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -66.34 -46.67 76.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -38.74 -52.29 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.407 ' CB ' HD23 ' A' ' 101' ' ' LEU . . . -54.7 -52.04 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.42 -40.41 62.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.0 mt -60.32 -54.99 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.0 m -56.73 -40.43 75.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.215 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.509 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 13.6 ttt -46.76 -63.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.52 -40.37 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -52.49 -56.91 11.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -50.29 -42.62 52.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 115' ' ' SER . 15.9 m-85 -66.85 -36.58 82.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 114' ' ' TYR . 23.1 t -35.48 -39.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.12 -41.94 8.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.7 t -101.79 128.98 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.558 HG22 ' CE1' ' A' ' 120' ' ' HIS . 26.6 m -101.04 117.37 62.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.108 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.46 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 61.1 Cg_endo -75.8 165.34 30.3 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.381 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.558 ' CE1' HG22 ' A' ' 118' ' ' THR . 38.9 m-70 -159.16 107.24 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.855 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.7 mt -87.22 133.08 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? 46.1 44.07 11.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 56.89 45.85 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -156.4 107.86 2.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.647 0.737 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -43.85 157.81 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 41.5 pt -131.29 149.49 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.503 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 3.2 m-85 -89.43 133.53 34.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 81.0 mt -147.74 126.71 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -156.21 -178.2 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.995 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -85.53 162.04 19.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.802 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.448 ' C ' ' OE1' ' A' ' 100' ' ' GLU . 59.8 mtt85 -82.43 -45.77 14.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.4 ' CG1' ' HB3' ' A' ' 98' ' ' PHE . 66.9 t -86.9 144.29 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.051 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.4 mt -121.88 146.91 46.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.589 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 17.5 t-80 -103.99 135.09 46.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 64' ' ' ARG . 59.8 mt -130.58 137.44 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.589 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -123.38 -176.85 3.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? 52.1 41.54 30.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.407 ' CD1' ' HB1' ' A' ' 97' ' ' ALA . 49.5 mt -72.85 140.83 81.3 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.595 0.712 . . . . 0.0 110.909 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.04 141.04 12.96 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.16 125.01 7.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 45.55 52.81 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.926 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.7 p -78.45 146.99 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.7 p -98.1 145.18 26.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -46.73 -47.46 20.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.9 m -43.95 -40.54 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -57.03 -61.81 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.17 -41.79 81.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.2 -48.56 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.68 -24.46 3.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.43 ' C ' ' HD2' ' A' ' 81' ' ' PRO . 32.9 mt -88.25 -22.23 24.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.43 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -92.29 -27.24 16.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 21.1 mt -57.22 -42.29 95.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.582 0.706 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.5 Cg_exo -48.01 -55.2 4.24 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.324 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.508 ' CZ ' ' HA ' ' A' ' 110' ' ' MET . 96.7 m-85 -66.25 -50.02 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.21 -114.84 0.54 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -149.44 137.98 20.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.3 t -84.48 114.0 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.6 p -97.21 -39.7 9.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -131.26 126.92 36.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.9 tt -129.22 144.53 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.2 tp -133.9 111.34 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.1 tpp -111.61 106.8 15.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.7 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.747 0.308 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -130.13 138.04 50.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.407 ' HB1' ' CD1' ' A' ' 66' ' ' LEU . . . -151.15 143.37 24.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.4 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 33.7 m-85 -109.42 126.05 53.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.8 tp -112.17 145.11 40.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' A' ' 59' ' ' ARG . 32.2 tp10 -130.03 136.8 49.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.465 ' CD2' ' HB1' ' A' ' 106' ' ' ALA . 5.4 mp -105.99 159.35 16.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.18 -59.9 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.064 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.4 p -110.48 164.29 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.01 -35.07 77.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -58.72 -53.57 56.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.465 ' HB1' ' CD2' ' A' ' 101' ' ' LEU . . . -38.91 -40.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.423 ' N ' HD23 ' A' ' 101' ' ' LEU . . . -69.61 -52.22 27.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 64.2 mt -46.07 -52.91 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.6 m -56.68 -43.06 80.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 82' ' ' PHE . 10.8 ttt -51.06 -62.52 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.804 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.541 HG21 ' CE1' ' A' ' 130' ' ' TYR . 97.6 t -48.18 -62.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.6 m-80 -48.67 -61.49 2.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 4.0 t80 -38.34 -38.78 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 115' ' ' SER . 18.8 m-85 -83.27 -36.48 24.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 114' ' ' TYR . 4.5 t -34.28 -41.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -89.34 -43.35 10.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.4 t -107.86 127.0 64.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 75.7 m -100.69 119.71 57.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.698 . . . . 0.0 111.086 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.52 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 62.5 Cg_endo -76.54 178.71 7.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 19.6 m-70 -161.99 108.75 1.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 24.6 mt -87.81 135.22 33.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 49.03 40.62 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.94 39.56 23.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -146.43 112.21 4.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.74 141.97 7.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 44.9 pt -116.69 158.05 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.401 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 3.5 m-30 -106.64 133.26 51.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 53.2 mt -133.29 132.72 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.469 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 8.8 tp60 -166.05 160.27 16.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.541 ' CE1' HG21 ' A' ' 111' ' ' VAL . 13.9 m-85 -66.45 166.25 12.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.827 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -64.82 -28.08 69.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.4 t -92.22 135.19 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 mt -112.23 137.93 49.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.631 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 11.6 t-80 -89.96 121.9 32.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.1 mt -117.59 131.11 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.631 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -132.09 174.19 10.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm 56.78 53.99 7.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.8 mt -92.01 151.63 42.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.566 0.698 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.91 142.33 74.97 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.18 149.06 46.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 60.18 26.35 15.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.15 139.93 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.4 p -96.9 152.49 18.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -51.63 -37.77 51.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.0 m -40.14 -42.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -58.84 -54.59 45.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.1 t -63.08 -35.45 71.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 86.0 mt -65.77 -52.74 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.79 -17.47 15.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.9 mt -92.18 -25.39 18.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -96.66 -9.86 56.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.443 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.7 mt -75.11 -41.85 4.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.648 0.737 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.5 Cg_exo -48.08 -30.49 14.35 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.301 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -92.37 -47.35 7.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.01 -127.66 1.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 1.6 tppp? -133.66 142.7 48.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.423 ' CG1' HD11 ' A' ' 99' ' ' LEU . 44.6 t -96.64 95.73 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.4 p -89.01 -39.14 13.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -128.5 127.98 43.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.7 tt -143.4 152.07 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 tp -140.67 130.19 24.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.7 ttm -130.66 125.59 34.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.41 ' C ' ' NE2' ' A' ' 96' ' ' GLN . 1.9 m-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.721 0.296 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.41 ' NE2' ' C ' ' A' ' 95' ' ' ASN . 2.4 mp0 -117.65 157.48 26.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -162.07 141.18 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -110.5 124.49 51.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.423 HD11 ' CG1' ' A' ' 85' ' ' VAL . 15.2 tp -112.81 139.82 48.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -126.36 144.39 50.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.7 mp -116.02 142.22 47.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -40.21 -47.67 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 48.3 p -104.63 164.42 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -90.31 -46.88 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -46.69 -28.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.63 -43.63 62.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.41 -41.62 80.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.0 mt -63.19 -48.87 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' MET . 36.5 m -61.92 -51.72 66.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 109' ' ' THR . 9.6 ttt -34.99 -54.66 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.95 -54.24 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -44.56 -50.57 9.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -48.68 -50.62 32.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 116' ' ' ALA . 23.6 m-85 -69.0 -28.15 66.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 114' ' ' TYR . 10.2 t -37.44 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' TYR . . . -108.78 -34.75 6.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.1 t -95.67 135.79 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 5.4 m -105.64 108.08 60.74 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.599 0.714 . . . . 0.0 111.129 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.438 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 60.8 Cg_endo -75.12 151.2 38.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 118' ' ' THR . 8.3 m80 -147.29 121.05 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.809 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.2 mt -104.12 137.95 41.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? 45.34 35.89 2.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.5 t30 63.88 47.12 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -159.06 104.96 1.56 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.557 0.694 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -43.81 149.4 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.3 pt -118.06 164.59 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 64' ' ' ARG . 6.6 m-30 -107.2 129.35 54.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 68.6 mt -132.99 116.73 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -146.06 148.25 32.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -54.26 147.6 13.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.793 -179.765 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.9 -38.12 72.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 65.2 t -87.5 145.5 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.409 HD21 ' CG2' ' A' ' 111' ' ' VAL . 55.6 mt -115.96 134.92 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.519 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 9.4 t-80 -88.14 132.72 34.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 64' ' ' ARG . 54.0 mt -135.41 143.65 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.519 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -150.31 -177.47 5.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 127' ' ' TYR . 39.4 mttt 48.68 44.45 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.8 mt -84.57 153.72 61.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.68 139.82 13.21 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.72 128.33 36.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.438 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 48.32 52.72 13.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 p -81.7 151.68 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.3 p -97.92 132.31 43.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' THR . 73.5 mt-10 -45.57 -46.98 14.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' GLU . 23.0 m -35.55 -40.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.86 -64.92 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.4 t -51.84 -41.19 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 71.8 mt -61.07 -54.51 34.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.33 -21.01 21.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 52.9 mt -89.04 -18.14 27.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.31 -5.48 55.88 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.0 mt -78.84 -41.86 1.74 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 63.8 Cg_exo -47.92 -29.23 11.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.64 2.227 . . . . 0.0 112.371 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -90.72 -45.42 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.32 -92.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.449 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 85' ' ' VAL . 13.1 ttmm -166.94 155.07 9.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.463 ' N ' ' HG2' ' A' ' 84' ' ' LYS . 96.9 t -105.74 98.53 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.3 p -80.8 -42.31 21.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -128.95 138.05 51.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.8 tt -142.86 138.23 27.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.7 tp -131.71 108.04 9.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.1 tpp -110.89 121.44 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.8 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.1 p30 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.756 0.312 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -136.54 153.13 51.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -162.9 146.42 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -120.34 132.19 55.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.8 tp -121.75 136.4 54.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -121.09 114.51 21.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.462 ' CD2' ' HB1' ' A' ' 106' ' ' ALA . 6.9 mp -80.93 158.3 25.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.27 -52.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.8 p -136.63 171.48 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.074 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 107' ' ' ALA . 11.6 pt-20 -64.51 -50.73 66.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 104' ' ' GLU . 10.2 tm-20 -35.65 -48.21 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.462 ' HB1' ' CD2' ' A' ' 101' ' ' LEU . . . -64.72 -44.07 91.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 104' ' ' GLU . . . -58.67 -49.03 79.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 69.6 mt -54.5 -61.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.176 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 60.2 m -54.34 -41.94 69.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.173 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 17.2 ttt -49.0 -50.73 34.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.409 ' CG2' HD21 ' A' ' 61' ' ' LEU . 61.8 t -67.32 -39.48 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -55.78 -50.97 69.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -54.09 -38.98 65.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.468 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 18.6 m-85 -75.34 -36.43 61.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.7 m -38.88 -42.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.19 -42.2 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.08 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 78.3 t -87.59 127.02 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.559 HG22 ' CE1' ' A' ' 120' ' ' HIS . 13.7 m -100.1 106.47 41.79 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.591 0.71 . . . . 0.0 111.186 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.468 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.2 Cg_endo -77.27 158.1 33.36 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.559 ' CE1' HG22 ' A' ' 118' ' ' THR . 32.8 m-70 -151.66 119.96 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.827 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 21.7 mt -99.76 139.03 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 44.08 46.36 7.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 t30 59.73 45.05 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.424 ' CD ' ' HD2' ' A' ' 125' ' ' PRO . 10.5 tp60 -155.41 138.46 10.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.564 0.697 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.424 ' HD2' ' CD ' ' A' ' 124' ' ' GLN . 61.0 Cg_endo -74.56 143.45 30.66 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.424 HD11 ' CD1' ' A' ' 128' ' ' ILE . 17.2 pt -113.38 154.18 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 65' ' ' LYS . 3.6 m-30 -107.32 111.17 23.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 129' ' ' GLN . 58.7 mt -125.8 147.02 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.452 ' OE1' ' NH2' ' A' ' 64' ' ' ARG . 10.3 pt20 -171.49 -177.94 2.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -70.49 148.12 48.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.814 -179.849 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.1 m -62.8 121.09 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.919 0.39 . . . . 0.0 110.859 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.6 p -123.51 116.22 22.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.54 -165.5 1.01 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.503 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.0 t -170.63 129.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 0.0 110.811 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -115.12 113.02 23.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.58 148.07 19.69 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.529 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -40.18 -54.08 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? 60.99 41.76 13.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.7 ttt -94.2 92.39 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -95.86 105.52 17.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.36 -60.57 0.1 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -119.2 73.71 13.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.578 0.704 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.8 155.95 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.4 t -119.8 131.66 55.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -62.36 -34.23 76.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 61' ' ' LEU . 20.0 t -83.56 135.98 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.407 ' N ' HG13 ' A' ' 60' ' ' VAL . 33.0 mt -117.55 136.7 53.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.023 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.572 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 10.7 t-160 -93.3 144.01 25.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.833 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.1 mt -135.0 132.75 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.572 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -127.15 171.86 11.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HD2' ' CZ ' ' A' ' 127' ' ' TYR . 6.6 mtpm? 56.1 48.71 17.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.8 mt -81.94 143.27 49.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.09 132.59 18.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.277 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.24 115.05 4.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.44 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 69.53 42.42 1.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 p -73.93 143.79 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 72' ' ' GLU . 77.0 p -96.39 135.08 38.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.462 ' CG ' HD12 ' A' ' 88' ' ' ILE . 9.9 tt0 -36.45 -52.64 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' GLU . 23.6 m -35.44 -52.94 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.76 -57.99 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.26 -24.4 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.429 ' CD1' ' OE1' ' A' ' 72' ' ' GLU . 90.9 mt -78.62 -36.51 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.12 63.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.5 mt -87.29 -9.78 54.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.423 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -108.61 -23.05 6.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.517 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.645 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 26.4 mt -58.62 -42.07 92.4 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.634 0.73 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 63.8 Cg_exo -47.94 -55.22 4.2 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.638 2.225 . . . . 0.0 112.362 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 21.7 m-85 -72.58 -50.94 22.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -162.91 -171.25 28.9 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -90.81 140.46 29.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.6 t -87.84 109.45 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 p -88.65 -28.31 20.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -146.35 139.25 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.462 HD12 ' CG ' ' A' ' 72' ' ' GLU . 6.6 tt -143.56 139.98 26.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp -127.76 112.88 15.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 16.0 tpp -112.25 105.38 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.3 mt -90.68 125.89 35.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -94.89 83.74 4.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.19 -62.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.561 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' C ' ' CG ' ' A' ' 95' ' ' ASN . 20.1 tptt -105.58 26.33 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.429 ' CG ' ' C ' ' A' ' 94' ' ' LYS . 1.0 OUTLIER 46.98 52.02 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -127.52 157.18 40.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -165.67 149.52 8.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -118.29 129.07 55.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.7 tp -110.12 148.88 30.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -136.62 117.22 13.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 102' ' ' ALA . 8.2 mp -87.11 156.74 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.69 -55.71 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.5 p -125.11 164.98 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.29 -41.87 89.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -45.6 -46.15 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.11 -29.73 65.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.74 -60.86 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 90.9 mt -41.66 -47.79 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 63.6 m -68.62 -38.7 80.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.535 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 12.1 ttt -55.21 -66.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 112' ' ' ASN . 84.8 t -40.75 -59.25 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.6 m-80 -37.6 -60.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -40.17 -43.37 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.565 ' CD2' HD13 ' A' ' 128' ' ' ILE . 29.4 m-85 -80.84 -31.15 35.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 112' ' ' ASN . 9.4 t -44.95 -33.03 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.74 -36.17 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.0 t -96.74 132.32 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.554 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 18.7 m -102.14 104.93 39.75 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.564 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.5 Cg_endo -76.49 164.4 30.68 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.607 2.205 . . . . 0.0 112.385 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.554 ' CE1' ' O ' ' A' ' 118' ' ' THR . 12.7 m80 -150.95 125.2 9.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 124' ' ' GLN . 27.1 mt -104.63 130.85 52.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 55.4 44.1 27.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.807 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 17.2 m120 62.25 30.57 17.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 121' ' ' LEU . 67.0 mt-30 -139.06 148.53 57.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.48 142.27 26.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.242 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 27.1 pt -119.71 149.36 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.512 ' CZ ' ' HD2' ' A' ' 65' ' ' LYS . 10.6 m-30 -100.45 135.78 41.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.565 HD13 ' CD2' ' A' ' 114' ' ' TYR . 68.9 mt -142.69 121.72 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.147 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -155.63 171.24 20.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.56 172.02 5.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.949 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 53.6 m -121.04 156.12 32.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -82.59 -40.61 20.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -69.83 121.01 16.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -52.76 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -103.15 151.28 22.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.953 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.5 tt -70.98 89.64 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -46.25 112.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.808 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.8 t -134.36 -40.72 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.5 t -144.7 151.85 39.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 169.48 144.04 4.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.414 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -79.42 127.58 7.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.309 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.6 t -62.16 -41.8 98.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 41.5 t -134.98 -42.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.2 p -143.52 162.9 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 t -141.74 140.55 33.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.59 103.06 1.2 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 92.6 p -131.41 43.16 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.5 p -91.99 149.81 21.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.44 -159.02 30.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.417 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.33 136.62 48.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -119.74 88.94 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.7 mtp -57.78 -53.07 62.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -54.54 -62.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.0 78.08 0.65 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.431 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.29 63.75 9.87 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.569 0.699 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.15 160.92 35.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.306 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.3 t -118.56 140.92 49.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.3 ptt-85 -64.78 -13.27 54.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.5 t -108.52 149.25 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.3 mt -123.17 139.58 53.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.497 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 7.2 t-80 -99.82 119.4 38.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.784 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.9 mt -114.94 144.2 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.497 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -138.16 173.68 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mttt 57.66 51.19 9.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.3 mt -85.95 142.97 36.9 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.582 0.706 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -47.02 149.78 3.2 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.667 2.245 . . . . 0.0 112.297 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.91 142.06 47.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.418 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 42.25 45.66 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.2 p -84.88 142.57 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.049 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 72' ' ' GLU . 37.6 p -98.66 135.0 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 71' ' ' THR . 10.8 mt-10 -35.69 -39.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -37.73 -46.42 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -54.3 -67.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.3 t -51.58 -42.35 29.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 85.0 mt -57.62 -54.3 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.6 -20.36 55.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 72.3 mt -89.71 -11.73 41.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.34 -14.46 13.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.562 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.8 mt -69.56 -41.81 17.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.637 0.732 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.9 Cg_exo -47.94 -37.69 29.83 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.474 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 51.1 m-85 -81.52 -50.87 8.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.27 -124.11 0.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.529 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -134.55 142.0 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.788 0.328 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.2 t -95.88 106.87 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.7 p -97.57 -40.45 8.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -128.47 129.24 45.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.8 tt -141.01 152.09 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.5 tp -144.64 119.08 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 16.1 ttm -120.98 135.13 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.9 mt -89.61 131.02 35.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -85.42 -36.15 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.55 -0.74 78.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.539 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -132.9 -179.29 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.28 36.25 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -125.07 161.64 26.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -165.96 131.58 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -99.35 138.68 36.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.2 tp -118.63 152.53 35.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -144.07 107.32 4.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.418 ' N ' HD13 ' A' ' 101' ' ' LEU . 7.1 mp -83.08 167.2 18.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.0 -52.29 3.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.7 p -138.3 143.41 39.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -48.97 -34.73 13.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -39.03 -51.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.61 -45.06 80.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.72 -43.83 27.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.6 -48.2 89.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 42.0 m -64.43 -34.06 77.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.474 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 15.5 ttt -60.06 -51.95 67.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 38.8 t -61.04 -45.4 98.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -51.44 -53.85 32.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -51.33 -40.78 59.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.568 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 17.2 m-85 -76.72 -26.76 55.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.9 m -52.92 -34.55 55.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.85 -43.38 6.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.1 t -94.54 131.59 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.4 m -101.21 105.12 37.43 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.543 0.687 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.568 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.4 Cg_endo -76.25 162.75 33.54 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.405 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -152.12 126.11 9.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.795 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 32.6 mt -101.6 143.33 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 40.12 46.49 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 59.34 49.59 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.469 ' CG ' ' HD2' ' A' ' 125' ' ' PRO . 10.4 tt0 -160.03 141.74 9.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.553 0.692 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 124' ' ' GLN . 60.1 Cg_endo -74.18 148.98 40.1 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.666 2.244 . . . . 0.0 112.305 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 43.5 pt -121.39 153.93 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 64' ' ' ARG . 5.7 m-30 -101.53 126.41 48.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 38.4 mt -131.57 126.88 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -157.79 156.68 31.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -58.12 131.99 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.8 p -67.81 138.37 56.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -122.28 -18.55 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -142.69 174.63 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.76 25.48 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -45.95 133.74 8.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.77 -46.76 89.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -87.79 -59.86 2.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 9.3 m 70.49 44.34 0.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.6 t -120.17 153.39 36.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 117.07 83.76 1.0 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.412 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.16 131.23 11.72 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.5 m -88.76 130.18 35.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 11.0 t -120.66 161.3 21.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.449 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.2 p 38.61 43.33 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 0.0 110.891 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.2 p -76.44 178.15 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.83 64.83 1.35 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.522 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.0 p -65.3 172.27 3.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.1 t -107.01 87.36 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.92 108.38 0.62 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.96 104.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.876 0.37 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.464 ' HE3' ' N ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -50.87 179.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 55' ' ' GLY . 5.7 ttt -157.95 122.79 4.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.5 81.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 53' ' ' MET . . . -75.88 -114.63 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -130.05 77.36 76.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.616 0.722 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.65 137.3 12.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.625 2.217 . . . . 0.0 112.321 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 m -87.39 119.2 27.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -57.35 -48.97 77.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.419 ' CG2' ' OE1' ' A' ' 100' ' ' GLU . 83.8 t -87.49 122.6 39.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.0 mt -94.9 146.13 24.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.627 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 9.4 t-160 -98.33 128.42 44.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 64' ' ' ARG . 73.3 mt -125.99 134.59 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.627 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -130.23 -177.64 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 16.5 mmtp 53.62 50.87 16.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.2 mt -82.35 141.36 45.82 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.569 0.7 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.44 161.58 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.63 108.46 2.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 73.8 46.55 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.93 0.395 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 p -84.06 150.16 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.1 p -98.61 161.11 13.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.99 -42.18 81.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.9 m -43.34 -36.42 1.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.199 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.23 -62.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.5 t -54.66 -39.94 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 35.3 mt -62.29 -51.28 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.86 -16.47 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 80.7 mt -93.11 -20.0 20.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -103.83 -10.5 34.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.426 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 23.8 mt -71.13 -41.83 11.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.729 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.3 Cg_exo -48.1 -31.16 15.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.604 2.203 . . . . 0.0 112.382 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 59.7 m-85 -96.94 -46.48 6.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.73 158.03 29.53 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 85' ' ' VAL . 5.7 tmtt? -66.44 142.83 57.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.429 ' N ' ' HD3' ' A' ' 84' ' ' LYS . 79.3 t -93.87 109.26 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.1 p -86.82 -44.99 11.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.43 ' HB3' ' CD2' ' A' ' 136' ' ' LEU . 65.9 m-80 -131.0 137.49 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.9 tt -142.03 141.11 29.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.4 tp -133.85 121.14 21.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.9 ttm -120.75 113.99 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.4 mt -77.09 120.42 22.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -49.89 51.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.97 -47.99 35.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HE2' ' N ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -87.59 150.07 23.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.87 42.36 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -127.56 153.33 46.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.05 132.58 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -103.61 121.05 42.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.0 tp -109.16 143.68 38.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.419 ' OE1' ' CG2' ' A' ' 60' ' ' VAL . 28.8 tt0 -131.33 130.86 43.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 101' ' ' LEU . 6.5 mp -106.92 167.95 9.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.59 -56.29 14.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.9 p -113.38 162.95 15.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -74.61 -23.05 58.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -67.66 -41.45 83.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.2 -32.89 64.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.02 -41.01 52.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.2 mt -58.13 -65.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.3 m -52.63 -34.89 53.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.448 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 13.5 ttt -62.1 -48.57 79.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.7 t -63.58 -36.4 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.16 -55.53 24.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -45.51 -36.52 4.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.47 ' CD2' HD13 ' A' ' 128' ' ' ILE . 12.0 m-85 -85.13 -37.33 20.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 65.1 m -39.27 -32.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.33 -39.61 6.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 76.2 t -92.33 132.16 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.494 HG23 ' CE1' ' A' ' 120' ' ' HIS . 13.9 m -103.53 102.44 29.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.728 . . . . 0.0 111.187 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.487 ' C ' ' CG ' ' A' ' 120' ' ' HIS . 62.4 Cg_endo -78.33 174.06 12.94 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.494 ' CE1' HG23 ' A' ' 118' ' ' THR . 13.0 m-70 -160.17 120.64 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 27.5 mt -101.13 137.4 39.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? 49.06 42.41 20.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 62.0 40.68 12.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -150.16 144.77 17.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.82 144.1 24.16 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.1 pt -118.88 154.38 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.448 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 4.0 m-30 -105.16 130.92 53.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.47 HD13 ' CD2' ' A' ' 114' ' ' TYR . 62.5 mt -135.7 126.71 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -164.3 -179.67 6.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -72.73 157.3 37.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 t -114.53 -27.29 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 59.29 41.82 19.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' A' ' 134' ' ' LYS . 21.1 m80 -123.39 -30.6 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 133' ' ' HIS . 0.0 OUTLIER 30.39 41.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 133' ' ' HIS . 9.5 tp10 -171.52 132.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 87' ' ' ASN . 44.1 tp -128.84 153.89 46.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -51.73 173.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.955 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 21.1 m 67.08 44.71 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 140' ' ' GLY . 2.1 t 43.38 39.99 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 139' ' ' SER . . . -34.07 97.22 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.441 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 139' ' ' SER . 70.9 Cg_exo -45.83 167.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.642 2.228 . . . . 0.0 112.38 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.7 m -161.17 163.03 31.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 15.0 t -142.34 114.15 8.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.3 p -44.65 139.55 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 110.839 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.5 m -114.53 105.57 13.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.18 80.65 1.37 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.1 p -104.99 137.95 41.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.4 m -88.69 145.26 25.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.27 95.54 1.18 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -135.28 143.65 46.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt 53.26 42.25 32.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.5 tpt -122.88 102.17 7.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.51 149.66 2.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.17 -92.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.79 73.0 72.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.548 0.689 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.02 -176.45 3.2 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.662 2.242 . . . . 0.0 112.324 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.8 m -129.0 163.53 25.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -95.14 -25.52 16.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.3 t -92.57 125.42 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.9 mt -103.64 139.49 38.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.507 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 9.6 t-80 -99.36 121.82 41.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 64' ' ' ARG . 25.2 mt -118.36 142.77 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.507 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -141.53 173.36 11.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HD3' ' CE1' ' A' ' 127' ' ' TYR . 11.5 mtpt 61.44 42.31 11.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt -76.86 143.57 71.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.612 0.72 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.87 160.24 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.33 128.21 8.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.444 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 57.76 45.12 19.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.6 148.29 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.3 p -98.08 133.76 42.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -41.98 -45.58 3.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 m -38.61 -41.95 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.26 -57.65 11.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.9 t -60.77 -45.5 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.38 -62.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.4 -17.29 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.5 mt -89.77 -20.19 23.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.3 0.77 35.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.453 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.1 mt -78.84 -41.86 1.74 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 67.2 Cg_exo -48.04 -29.34 11.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.291 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.507 ' CZ ' ' HA ' ' A' ' 110' ' ' MET . 55.9 m-85 -92.58 -49.99 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -162.08 172.33 38.19 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.92 132.61 37.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 23.7 t -80.83 127.57 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.0 p -114.84 -42.19 3.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -128.75 126.83 40.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.3 tt -141.56 144.16 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 tp -135.67 107.09 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.444 ' HA ' ' CB ' ' A' ' 97' ' ' ALA . 31.7 ttm -111.2 128.17 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 94' ' ' LYS . 45.5 mt -88.41 117.23 27.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -65.04 -51.99 58.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.33 26.6 3.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -153.03 164.09 38.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 0.0 110.894 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -106.67 49.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -151.09 151.45 32.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 90' ' ' MET . . . -158.15 145.43 18.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -106.48 124.35 49.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.9 tp -109.05 141.08 41.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -130.14 105.89 8.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 102' ' ' ALA . 6.8 mp -75.37 162.56 28.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -36.33 -59.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.8 p -129.59 163.65 25.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -64.5 -22.78 67.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -58.28 -37.6 75.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.92 -40.18 54.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.01 -50.38 72.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 97.2 mt -51.66 -50.73 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.1 m -60.79 -44.89 96.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.507 ' HA ' ' CZ ' ' A' ' 82' ' ' PHE . 11.5 ttt -47.43 -61.74 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.7 t -56.39 -39.07 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 115' ' ' SER . 26.0 m120 -58.83 -57.29 13.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -43.64 -45.41 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.435 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 34.9 m-85 -71.44 -27.61 63.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 112' ' ' ASN . 6.0 t -38.73 -31.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -110.4 -37.59 5.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.5 t -93.14 134.73 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.492 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 11.4 m -100.99 107.64 50.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.71 . . . . 0.0 111.057 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.435 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.6 Cg_endo -77.28 144.95 23.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 118' ' ' THR . 30.6 m-70 -145.24 121.95 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.3 mt -101.51 136.27 41.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 54.99 30.45 14.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 45.7 t30 73.08 35.17 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -145.8 144.56 22.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.9 147.3 30.51 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.619 2.212 . . . . 0.0 112.356 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 13.4 pt -115.99 157.39 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.512 ' CE1' ' HD3' ' A' ' 65' ' ' LYS . 4.7 m-30 -101.49 130.16 47.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.1 mt -135.17 133.87 52.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 33.4 tp60 -165.27 146.3 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.41 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 3.2 m-85 -53.41 165.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.11 140.75 52.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -122.73 -31.45 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 134' ' ' LYS . 26.5 m-70 -117.05 -175.03 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 133' ' ' HIS . 30.0 mttm 34.4 36.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 133' ' ' HIS . 13.3 pt-20 -68.33 154.59 41.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 136' ' ' LEU . 4.1 mm? -69.33 93.49 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -127.94 152.64 47.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 38.0 p -119.03 -49.16 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.0 m -68.22 -52.55 32.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 137.92 -159.66 25.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -45.63 161.12 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.296 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.9 m -131.14 147.4 52.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.792 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.9 m -166.3 145.18 5.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.5 m -103.75 172.53 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.5 p -147.34 177.0 9.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.67 97.36 0.19 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.2 p -153.56 145.12 23.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.9 0.381 . . . . 0.0 110.821 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.0 m -147.59 153.39 39.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.78 107.49 0.89 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.6 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -58.99 176.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -105.81 95.72 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -152.77 168.23 26.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -133.86 118.34 17.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -100.77 -100.92 2.42 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.63 71.11 58.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.542 0.687 . . . . 0.0 111.089 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -46.06 153.04 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.5 t -124.53 152.04 43.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -76.11 -30.48 58.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.1 t -95.05 137.29 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.9 mt -114.91 143.37 45.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.547 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 24.9 t-80 -103.16 136.67 42.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.482 ' CG2' ' O ' ' A' ' 127' ' ' TYR . 16.0 mt -128.16 140.42 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.061 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.547 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -130.28 177.27 7.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 29.9 mmtm 57.82 41.88 24.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.402 ' CD1' ' HB2' ' A' ' 97' ' ' ALA . 86.6 mt -70.3 141.32 88.46 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.634 0.731 . . . . 0.0 110.946 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.5 148.31 5.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.2 113.25 5.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 66.42 47.14 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 p -81.61 148.73 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.2 p -103.59 145.14 30.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -46.51 -46.7 19.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 92.4 m -41.5 -36.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.96 -67.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.0 t -53.91 -39.64 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.94 -53.25 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.03 -15.67 5.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.4 mt -94.78 -17.86 21.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.88 -4.45 48.41 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.476 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.1 mt -76.56 -41.78 2.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.3 Cg_exo -47.99 -36.37 27.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.27 . . . . 0.0 112.364 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.547 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 48.9 m-85 -82.03 -50.78 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -157.39 -147.94 4.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -112.96 137.5 51.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.7 t -80.68 125.04 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.158 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.3 p -106.6 -32.95 7.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -152.14 133.17 14.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.3 tt -137.32 151.96 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 52.9 tp -136.78 121.07 18.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 37.2 tpp -115.13 106.28 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.2 mt -88.55 94.06 9.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -70.55 75.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -170.25 -67.96 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -93.59 27.63 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.16 46.4 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -129.15 148.64 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . . . -152.1 161.08 43.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.466 ' CZ ' ' CD2' ' A' ' 62' ' ' HIS . 71.2 m-85 -131.68 125.21 31.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.9 tp -109.41 143.84 38.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -132.97 115.42 15.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.825 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 7.4 mp -87.03 155.07 20.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.84 -49.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.8 p -133.66 155.76 49.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -63.02 -17.87 62.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.85 -49.44 76.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.428 ' HB3' ' CD2' ' A' ' 101' ' ' LEU . . . -65.28 -24.52 67.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.46 -56.82 4.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.1 mt -50.06 -49.14 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.3 m -59.91 -46.35 89.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.547 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 9.0 ttt -46.03 -60.79 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.2 t -55.47 -46.6 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -48.23 -49.42 33.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -57.62 -28.7 63.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.556 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 17.3 m-85 -83.64 -31.35 26.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.5 t -41.29 -38.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.39 -43.14 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 86.1 t -85.87 134.01 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.543 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 18.6 m -102.93 105.74 46.9 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.608 0.718 . . . . 0.0 111.13 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.556 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.2 Cg_endo -78.41 147.71 23.0 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' A' ' 118' ' ' THR . 1.9 m80 -141.88 115.91 9.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 25.5 mt -90.29 146.04 24.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 11.3 mmm-85 43.38 39.86 2.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 62.8 48.29 4.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -165.51 133.51 2.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.744 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.8 165.93 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.439 ' CD1' HD11 ' A' ' 128' ' ' ILE . 49.1 pt -144.41 153.7 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.515 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 11.0 m-30 -97.72 124.8 42.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.439 HD11 ' CD1' ' A' ' 126' ' ' ILE . 60.8 mt -133.92 126.49 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -161.38 179.14 8.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -78.14 147.7 34.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.1 p -76.56 150.87 36.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -77.25 -41.8 39.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -79.51 140.38 37.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -50.12 69.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -105.14 147.99 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.3 tt -56.42 -64.19 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -73.36 104.48 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 26.4 m -57.22 134.59 56.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 72.4 p -90.98 119.46 31.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.46 -146.28 10.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.549 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.54 132.45 12.79 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.7 2.267 . . . . 0.0 112.349 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 75.5 m -106.06 164.12 12.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 61.8 p -172.48 171.97 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.437 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 t -112.27 145.41 40.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.826 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 m -89.39 -56.72 3.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.19 -115.4 7.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -158.55 114.6 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -137.71 139.42 40.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.46 44.87 0.19 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -146.02 143.34 29.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -148.54 161.6 41.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.4 mtt -148.56 154.47 39.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -134.02 124.3 26.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -163.11 -96.89 0.11 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.553 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -114.14 76.11 3.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.513 0.673 . . . . 0.0 111.07 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.23 101.93 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.9 t -70.35 155.34 40.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -87.18 32.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.6 t -136.49 146.44 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.3 mt -129.02 119.59 24.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.615 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 9.6 t-80 -92.74 137.21 32.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.48 ' CG2' ' O ' ' A' ' 127' ' ' TYR . 38.1 mt -129.91 138.84 53.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.615 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -125.04 -176.49 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 44.1 mmtm 48.42 46.21 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.4 mt -68.5 140.0 92.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.949 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.72 142.57 14.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.5 120.77 17.69 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 57.54 54.58 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.7 p -89.94 158.48 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 57.9 p -116.32 146.11 42.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -47.03 -39.24 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 86.6 m -45.15 -31.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.95 -59.83 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.2 t -59.14 -32.28 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 74.0 mt -71.04 -59.57 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.85 -15.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.5 mt -97.97 -23.45 15.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -95.11 -14.72 47.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.634 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.7 mt -68.58 -41.86 24.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.4 Cg_exo -47.98 -36.12 26.79 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.701 2.267 . . . . 0.0 112.311 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.461 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 93.2 m-85 -90.81 -50.31 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.11 172.91 36.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 43.6 tptt -76.04 148.8 37.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 0.0 110.849 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 73.7 t -96.11 116.67 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.8 p -99.11 -44.88 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -127.91 137.17 52.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.7 tt -143.66 144.17 23.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.1 tp -132.78 112.37 11.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 38.6 tpp -114.18 115.85 28.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.4 mt -84.04 127.43 33.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -69.91 -55.99 8.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.94 -91.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.538 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -58.02 152.97 15.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -86.63 69.16 10.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -142.32 146.48 35.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -153.62 139.12 17.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 134' ' ' LYS . 90.3 m-85 -109.92 126.11 53.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.1 tp -111.18 150.09 30.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -138.53 131.41 29.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 102' ' ' ALA . 7.3 mp -101.76 157.63 16.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -37.08 -56.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.7 p -127.98 157.82 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -60.41 -31.43 70.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.01 -41.5 64.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.78 73.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.32 -56.62 19.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.0 mt -43.25 -52.83 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.9 m -58.64 -44.66 90.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.461 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 19.3 ttt -51.64 -67.41 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.423 HG21 ' CE1' ' A' ' 130' ' ' TYR . 84.8 t -40.44 -60.11 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.8 m-80 -42.72 -61.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 112' ' ' ASN . 70.3 t80 -36.76 -35.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.533 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 43.1 m-85 -90.91 -34.52 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 112' ' ' ASN . 11.4 t -38.3 -38.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.81 -39.76 7.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.2 t -93.4 130.06 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 88.7 m -100.21 104.82 32.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.646 0.736 . . . . 0.0 111.174 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.533 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.4 Cg_endo -75.74 175.61 11.07 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.388 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 69.5 m80 -160.89 119.97 2.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.79 133.32 45.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 46.9 43.17 13.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 62.53 42.76 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.422 ' CD ' ' HD2' ' A' ' 125' ' ' PRO . 13.7 tp60 -151.21 139.39 12.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.422 ' HD2' ' CD ' ' A' ' 124' ' ' GLN . 61.0 Cg_endo -75.16 145.85 31.41 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 45.7 pt -119.2 156.44 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.48 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 9.3 m-30 -105.21 134.37 48.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.0 mt -134.6 121.22 34.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -153.44 160.83 42.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.423 ' CE1' HG21 ' A' ' 111' ' ' VAL . 2.9 m-85 -72.57 161.96 30.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 86.8 p -96.96 132.98 42.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -109.71 -48.55 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -114.56 -42.26 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 42.4 mmtt -80.77 50.12 1.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.54 132.37 34.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 17.8 mt -63.81 148.75 48.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -167.73 134.2 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.13 130.0 41.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 37.1 m -148.44 153.21 38.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 151.25 100.23 0.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.54 47.17 1.57 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.384 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 22.6 m 59.08 47.33 12.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 18.7 t -122.46 125.17 45.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.777 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t 54.93 42.24 31.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 110.872 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.1 t -117.52 -45.74 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.5 164.1 38.0 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.1 m -120.45 -47.85 2.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.364 . . . . 0.0 110.821 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.7 p -67.53 90.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -170.38 48.84 0.2 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -151.72 163.07 39.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -111.8 99.43 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.2 mmm -111.7 99.25 8.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -127.11 88.07 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.68 -76.35 0.44 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.502 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -125.18 81.39 63.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.602 0.715 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -48.68 -176.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.744 2.296 . . . . 0.0 112.296 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.2 t -163.13 143.87 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.1 ptt-85 -62.85 -33.16 74.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.8 t -90.47 133.26 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.1 mt -115.74 152.11 33.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.583 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 8.7 t-80 -111.28 128.1 55.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.1 mt -121.06 144.4 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.583 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -139.73 -179.7 6.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.542 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 1.5 mmmp? 60.6 27.28 16.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.9 mt -74.97 143.73 78.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.551 0.691 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -47.07 158.82 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.391 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.33 135.06 23.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 46.03 45.75 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.378 . . . . 0.0 110.93 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -78.67 146.6 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.1 p -86.74 158.96 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' GLU . 49.8 mt-10 -65.05 -48.4 73.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' GLU . 96.6 m -35.66 -33.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' GLU . 4.0 mm-40 -65.74 -59.06 4.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 t -66.58 -26.2 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 81.9 mt -73.15 -49.44 38.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.1 -12.45 55.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.4 mt -91.66 -29.09 17.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.95 -9.82 47.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.644 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.7 mt -77.99 -41.74 2.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.973 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.2 Cg_exo -48.06 -30.29 13.86 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.626 2.217 . . . . 0.0 112.348 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.476 ' CE2' ' HG2' ' A' ' 110' ' ' MET . 73.0 m-85 -88.07 -48.98 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -151.03 -144.74 3.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 36.5 tptt -113.84 147.83 37.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 18.0 t -101.57 127.95 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.144 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.8 p -112.44 -39.1 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -139.82 139.51 36.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.1 tt -140.16 143.74 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.8 tp -125.64 115.85 20.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.448 ' HG2' ' CB ' ' A' ' 97' ' ' ALA . 20.7 mtp -124.08 123.93 41.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 96' ' ' GLN . 31.2 mt -72.32 130.91 41.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -79.59 55.42 1.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.98 -80.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.538 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -56.9 147.83 22.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -77.15 66.12 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.44 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 31.5 mt-30 -149.17 141.9 24.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.448 ' CB ' ' HG2' ' A' ' 90' ' ' MET . . . -163.37 136.85 5.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.522 ' CD2' ' HG2' ' A' ' 134' ' ' LYS . 21.7 m-85 -102.34 156.71 17.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.4 tp -128.8 142.35 51.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -131.82 109.99 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.413 HD13 ' N ' ' A' ' 101' ' ' LEU . 6.5 mp -93.15 168.82 10.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.18 -55.43 35.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 58.6 p -112.61 127.58 56.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.168 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -48.3 -34.77 11.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -47.09 -52.35 15.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.5 -49.85 63.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.92 49.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 96.2 mt -54.61 -49.42 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.9 m -58.52 -42.69 88.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.189 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.476 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -52.44 -53.79 40.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.843 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.7 t -59.34 -41.09 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -61.58 -57.42 12.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -49.18 -39.89 31.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -78.72 -21.38 48.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.4 t -46.35 -38.25 8.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.5 -42.16 9.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.5 t -94.1 123.45 46.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.457 HG23 ' CE1' ' A' ' 120' ' ' HIS . 33.4 m -100.0 104.79 31.16 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.603 0.716 . . . . 0.0 111.094 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.508 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 60.8 Cg_endo -74.55 174.87 11.87 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 20.0 m-70 -161.1 118.14 2.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.401 ' CD2' ' OE2' ' A' ' 74' ' ' GLU . 22.5 mt -101.16 143.54 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 58.47 28.62 17.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 39.0 t30 70.78 31.32 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -147.33 149.93 36.15 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.642 0.734 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.56 144.07 31.46 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.682 2.255 . . . . 0.0 112.361 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.7 pt -108.12 163.69 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.542 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 7.4 m-30 -109.24 132.01 54.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.5 mt -131.14 132.35 63.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 3.2 tp-100 -163.34 150.17 12.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 21.0 m-85 -63.82 162.28 13.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.8 m -112.76 172.36 6.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -95.97 -64.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -121.79 -72.74 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.522 ' HG2' ' CD2' ' A' ' 98' ' ' PHE . 0.5 OUTLIER 38.95 47.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -61.96 87.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -45.36 -51.46 11.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -67.16 92.15 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.977 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 9.0 t -110.25 149.15 30.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.8 p -88.62 -60.41 1.97 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -60.36 149.48 42.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.04 40.99 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.384 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 t -71.85 159.01 35.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -73.51 103.56 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.2 p -123.82 99.71 6.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -47.46 141.26 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 170.76 59.66 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.422 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.1 m -146.77 156.81 43.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 m -52.49 148.88 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.11 74.59 0.88 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.515 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -106.0 42.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.952 0.406 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -89.22 147.14 24.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -166.91 141.14 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -86.05 -52.86 5.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.82 83.16 1.34 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -172.88 105.01 0.32 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.692 . . . . 0.0 111.085 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -47.35 166.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 m -130.12 148.52 51.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' CG ' ' HB2' ' A' ' 104' ' ' GLU . 58.9 mtp180 -77.93 -36.3 49.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.1 t -84.71 142.22 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.6 mt -116.97 135.1 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.53 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 12.3 t-80 -93.87 126.97 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.4 mt -124.09 139.96 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.53 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -136.29 176.68 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm 60.76 39.68 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.4 mt -75.08 138.6 72.46 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.648 0.737 . . . . 0.0 110.937 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -48.01 170.38 0.06 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.73 2.287 . . . . 0.0 112.337 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.16 134.63 12.88 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 54.62 43.98 29.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 p -87.42 141.17 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 72' ' ' GLU . 62.5 p -97.65 132.14 43.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.103 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' THR . 13.7 mp0 -37.43 -37.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.806 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.3 m -37.89 -50.53 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.14 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 82.5 t -48.81 -27.48 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 80.4 mt -75.49 -57.03 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.85 -12.77 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.6 mt -91.23 -27.71 18.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -100.17 -6.11 53.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.543 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 27.8 mt -78.36 -41.89 1.96 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.85 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.1 Cg_exo -47.95 -26.12 7.07 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -97.03 -48.38 5.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.44 -138.95 3.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -128.14 135.51 49.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.9 t -88.66 124.28 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 p -107.92 -39.26 5.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -132.59 130.94 40.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.422 HG12 ' N ' ' A' ' 89' ' ' LEU . 2.9 tt -142.3 147.52 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.422 ' N ' HG12 ' A' ' 88' ' ' ILE . 12.0 tp -138.3 123.5 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.3 ttm -121.24 119.25 31.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.4 mt -80.79 116.24 20.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -55.88 -42.05 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' LYS . . . -83.06 -106.67 0.49 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 93' ' ' GLY . 0.0 OUTLIER -36.69 140.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.908 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.33 78.36 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -154.2 145.54 22.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -153.05 134.59 14.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 98' ' ' PHE . 3.1 m-85 -103.16 131.15 50.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.0 tp -116.71 148.19 41.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -144.54 128.42 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 101' ' ' LEU . 5.6 mp -101.29 -177.12 3.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.22 95.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.7 p -126.36 178.41 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 107' ' ' ALA . 34.3 tt0 -91.42 -50.77 5.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 104' ' ' GLU . 43.1 mt-10 -35.04 -40.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.89 87.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 104' ' ' GLU . . . -55.89 -60.35 3.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 81.4 mt -41.28 -38.75 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.6 m -75.76 -39.79 56.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.5 ttt -56.9 -46.32 82.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.4 t -67.42 -37.12 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.57 -48.56 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -51.22 -33.51 28.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.401 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 55.8 m-85 -93.34 -25.15 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.934 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.0 t -45.47 -31.58 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.12 -32.93 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.1 t -98.53 134.22 38.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.461 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 25.5 m -102.55 103.82 34.33 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.545 0.688 . . . . 0.0 111.17 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.512 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 61.2 Cg_endo -75.31 172.54 16.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 57.8 m80 -160.6 115.78 2.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 124' ' ' GLN . 31.5 mt -95.91 136.55 36.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 52.76 43.95 30.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 60.28 35.42 20.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.462 ' NE2' ' HD2' ' A' ' 125' ' ' PRO . 14.6 mm100 -149.01 149.2 29.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.547 0.689 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.462 ' HD2' ' NE2' ' A' ' 124' ' ' GLN . 60.1 Cg_endo -73.29 157.66 49.61 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.391 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 48.8 pt -131.85 162.64 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -106.65 126.78 52.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 42.8 mt -130.76 124.43 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.476 ' CG ' ' N ' ' A' ' 130' ' ' TYR . 38.6 tt0 -162.11 168.41 22.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.476 ' N ' ' CG ' ' A' ' 129' ' ' GLN . 3.5 m-85 -62.85 165.77 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.2 t -126.22 122.0 34.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -45.49 -49.88 13.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -56.85 130.03 44.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -74.85 -52.82 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -128.41 124.92 37.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.4 mt -50.57 158.92 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -123.3 167.44 13.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 95.4 m -143.84 116.71 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.2 m -89.19 86.99 6.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -155.35 -173.02 23.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.57 97.82 0.03 OUTLIER 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.629 2.219 . . . . 0.0 112.364 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.4 t -122.72 168.81 11.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.792 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 28.2 t -153.34 136.62 15.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 m -64.42 126.14 26.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 t -129.42 127.45 40.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.74 -178.6 24.02 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.4 m -101.65 163.59 12.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 0.0 110.839 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -155.32 118.27 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.2 -172.94 34.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.435 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 51' ' ' ASP . 2.5 p30 -148.22 160.92 42.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -53.88 118.15 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -112.8 86.67 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -99.65 125.52 45.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.802 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.409 ' C ' ' HD3' ' A' ' 57' ' ' PRO . . . -149.61 -112.61 0.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -117.56 72.56 7.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.611 0.72 . . . . 0.0 111.095 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.409 ' HD3' ' C ' ' A' ' 55' ' ' GLY . 70.9 Cg_exo -45.95 139.96 10.69 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.709 2.273 . . . . 0.0 112.314 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t -102.12 157.8 16.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -80.3 -45.23 18.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 98' ' ' PHE . 58.4 t -82.98 144.89 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 mt -117.52 142.11 47.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.616 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 15.6 t-80 -97.12 130.04 44.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 64' ' ' ARG . 15.2 mt -124.53 144.49 34.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.616 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -133.96 174.89 9.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.555 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 2.6 mmmp? 53.15 46.13 27.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.9 mt -73.96 139.64 76.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -47.7 153.33 2.36 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.715 2.277 . . . . 0.0 112.296 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.36 142.43 42.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 41.8 47.1 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 p -88.04 148.72 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.7 p -109.14 148.88 30.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -45.07 -42.53 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 91.8 m -38.2 -41.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.12 -60.18 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.6 t -56.42 -37.49 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.4 mt -68.24 -46.62 80.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.45 -23.41 38.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.5 mt -89.05 -18.67 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.1 -20.4 18.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.378 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.649 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 26.1 mt -63.76 -41.93 67.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.56 0.695 . . . . 0.0 110.834 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.2 Cg_exo -47.88 -48.43 16.16 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -74.79 -43.02 56.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.65 -120.05 0.53 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -144.45 144.99 31.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.3 t -89.94 114.05 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.424 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 44.4 p -93.71 -42.69 9.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.424 ' OD1' ' C ' ' A' ' 86' ' ' THR . 5.7 m-20 -134.41 130.32 36.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 tt -129.35 156.63 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.1 tp -144.52 111.0 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.974 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.6 tpp -110.26 118.31 35.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.8 mt -101.26 136.98 40.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -104.1 85.49 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.38 -69.45 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.48 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -103.77 26.8 8.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.73 0.3 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 51.46 42.54 29.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -115.69 148.52 39.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.16 142.71 19.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.466 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 65.4 m-85 -112.28 128.12 56.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 tp -113.08 145.4 40.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -131.35 132.94 44.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 101' ' ' LEU . 7.1 mp -101.3 162.99 12.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.52 -53.5 37.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.6 p -111.42 156.86 20.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.5 -22.8 56.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.2 -47.65 83.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.18 -40.0 60.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.99 -59.22 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.047 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.8 mt -49.39 -52.33 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.8 m -65.05 -35.26 80.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 23.1 ttt -57.44 -59.17 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.501 HG23 ' CE1' ' A' ' 130' ' ' TYR . 86.2 t -46.08 -61.91 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -41.28 -55.37 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -39.18 -36.12 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 115' ' ' SER . 29.2 m-85 -90.67 -36.63 14.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 114' ' ' TYR . 38.5 t -35.14 -38.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.31 -44.75 6.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 87.1 t -91.61 129.57 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.442 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 90.3 m -100.42 109.88 58.41 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.591 0.71 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.434 ' C ' ' CG ' ' A' ' 120' ' ' HIS . 59.8 Cg_endo -73.7 170.22 20.53 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.301 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 118' ' ' THR . 21.8 m-70 -157.13 114.23 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 23.4 mt -91.94 135.4 33.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 47.07 40.12 9.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 41.5 t30 64.67 43.44 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -153.13 146.26 17.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.85 144.53 27.64 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 37.5 pt -119.86 167.59 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 65' ' ' LYS . 16.5 m-30 -111.66 134.92 52.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.468 HG21 ' N ' ' A' ' 129' ' ' GLN . 58.0 mt -137.37 139.19 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.093 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.468 ' N ' HG21 ' A' ' 128' ' ' ILE . 21.7 tt0 -170.93 152.8 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.501 ' CE1' HG23 ' A' ' 111' ' ' VAL . 7.4 m-85 -53.05 138.97 29.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 25.8 p -63.79 166.6 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -99.08 -45.54 5.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -72.88 129.35 37.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -47.12 -58.17 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -132.99 150.11 52.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.3 mt -49.26 -44.79 44.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -168.54 119.06 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 93.4 m -64.46 100.57 0.37 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 99.2 p -49.23 157.97 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 105.03 140.89 10.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.1 -15.56 12.88 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.69 2.26 . . . . 0.0 112.391 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 72.8 p -106.06 120.08 40.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.3 m -134.75 139.38 45.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -157.07 149.1 22.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.832 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 64.0 m -104.02 143.13 33.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.48 151.12 20.6 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 t -156.4 152.25 27.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -142.52 129.67 20.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.28 99.08 0.33 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -167.43 170.59 11.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.914 0.388 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -146.58 117.68 7.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 44.2 tpp -64.76 -58.23 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -84.41 162.33 20.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.55 60.21 0.67 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.44 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.12 75.89 22.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.699 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.69 106.98 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.634 2.223 . . . . 0.0 112.387 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t -91.99 152.69 19.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -83.62 19.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.2 t -131.19 122.56 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.2 mt -110.82 131.82 54.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.488 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 35.5 t-80 -90.28 144.84 25.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.774 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 127' ' ' TYR . 8.1 mt -140.13 135.16 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.488 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -129.77 -175.99 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 27.1 mmtp 54.05 39.49 30.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.7 mt -68.36 141.09 93.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.72 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -47.78 161.85 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.5 118.94 8.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.439 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 60.15 45.28 11.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 71' ' ' THR . 9.8 p -77.21 158.29 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.423 ' N ' HG22 ' A' ' 70' ' ' VAL . 70.9 p -111.09 152.05 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -54.18 -42.33 69.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 93.5 m -42.39 -34.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.169 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.06 -65.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.27 -26.14 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 88.4 mt -77.2 -48.85 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.1 -17.15 61.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.0 mt -90.35 -15.79 30.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.25 -12.42 19.87 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.644 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 18.0 mt -70.65 -41.86 13.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.729 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.2 Cg_exo -47.93 -40.02 32.57 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 56.8 m-85 -82.51 -50.73 8.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.61 -125.5 1.57 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.89 130.8 20.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 55.9 t -79.02 113.61 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 p -99.36 -36.87 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -133.84 128.24 34.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.6 tt -135.41 151.37 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.8 tp -139.38 120.88 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.6 ttm -117.97 119.34 34.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.9 mt -85.34 114.07 22.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -62.27 137.9 58.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.41 -50.18 3.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -79.31 144.05 34.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.44 58.91 5.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -143.52 138.67 29.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -153.3 140.65 19.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.428 ' CE2' ' CD2' ' A' ' 62' ' ' HIS . 14.7 m-85 -110.69 124.14 51.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.0 tp -111.32 145.28 39.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -135.75 128.22 30.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.6 168.55 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.87 -39.9 69.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 66.6 p -128.3 162.91 25.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.91 -25.04 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -67.59 -30.56 70.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.43 -14.77 61.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.06 -39.64 14.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.12 -49.85 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.6 m -66.12 -28.25 68.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.486 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 15.5 ttt -64.65 -61.16 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.0 t -48.59 -54.44 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -39.56 -55.05 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -43.65 -38.16 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.551 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 32.2 m-85 -88.53 -30.69 19.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.1 t -41.32 -37.19 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.11 -38.86 6.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.54 133.49 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.539 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 21.4 m -102.71 103.19 31.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.556 0.693 . . . . 0.0 111.174 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.551 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.1 Cg_endo -75.63 173.96 13.62 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 118' ' ' THR . 43.1 m80 -160.04 118.4 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.5 143.23 27.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 46.51 34.14 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.9 m120 67.18 46.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -163.37 132.43 2.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.23 163.08 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 23.6 pt -140.75 149.85 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.503 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 6.3 m-30 -97.63 131.47 44.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 68.5 mt -138.38 121.6 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.42 ' HG3' ' NH1' ' A' ' 64' ' ' ARG . 26.2 mt-30 -148.03 -178.22 6.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -88.83 175.83 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.4 t -107.41 144.8 33.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.79 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -67.8 -52.11 40.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -81.54 169.61 16.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -104.5 32.83 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -158.79 142.59 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -39.41 -58.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -108.89 145.95 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.799 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 72.4 p -65.88 123.98 21.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.1 t -78.91 157.48 28.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 145.73 95.74 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.51 -47.6 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.736 2.291 . . . . 0.0 112.368 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 73.4 m -123.87 154.4 39.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.4 t -117.12 51.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.828 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t 50.1 41.76 24.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.907 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.3 t -128.54 115.57 18.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.03 146.34 16.09 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.7 m -71.69 154.24 41.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.932 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.4 t -150.57 152.89 34.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.82 -134.85 5.99 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -151.93 175.81 12.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -44.82 61.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -152.39 142.71 22.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -94.26 117.53 30.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.92 -92.02 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.84 76.77 57.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.587 0.708 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -45.94 171.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 t -94.52 142.43 27.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.452 ' CG ' ' HB3' ' A' ' 104' ' ' GLU . 60.8 mtp180 -83.26 -32.63 26.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.7 t -89.06 137.91 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.3 mt -113.81 137.43 51.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.549 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 30.9 t-80 -93.62 140.79 29.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.6 mt -133.62 134.1 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.549 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -128.91 173.02 10.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 0.0 OUTLIER 55.22 49.24 17.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 97' ' ' ALA . 41.7 mt -88.5 144.5 33.79 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.579 0.704 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -47.67 131.53 20.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.377 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.82 118.55 3.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 60.24 49.52 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.1 p -77.52 142.67 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.4 p -88.24 134.12 33.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' THR . 15.3 mt-10 -39.9 -52.22 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' GLU . 84.8 m -35.43 -40.65 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.06 -59.68 4.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.1 -45.47 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 63.5 mt -53.95 -55.54 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.44 -23.76 10.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.039 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.9 mt -85.69 -20.57 29.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.418 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -100.58 -21.83 12.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.433 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.631 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 24.6 mt -58.3 -41.97 92.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.581 0.705 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.2 Cg_exo -47.96 -44.45 27.53 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.54 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 24.7 m-85 -87.13 -50.47 6.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.45 164.77 31.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.429 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 85' ' ' VAL . 1.6 tmtp? -79.32 137.3 37.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.418 ' N ' ' HD3' ' A' ' 84' ' ' LYS . 97.8 t -81.19 113.36 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.0 p -99.22 -32.68 11.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -138.94 126.65 22.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.9 tt -129.78 155.86 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.4 tp -144.47 113.54 6.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 ttm -116.23 119.93 37.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 48.4 mt -82.58 97.64 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -50.79 136.84 21.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.63 -45.89 3.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.443 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -77.24 174.93 10.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -115.15 47.91 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -141.57 145.81 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.457 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . . . -155.24 145.21 21.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -114.83 122.37 46.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.7 tp -108.94 145.74 34.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.444 ' OE1' ' C ' ' A' ' 59' ' ' ARG . 3.4 tp10 -133.07 125.3 29.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 101' ' ' LEU . 6.0 mp -94.55 160.63 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.0 -59.28 2.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.0 p -113.08 171.47 7.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' HB3' ' CG ' ' A' ' 59' ' ' ARG . 16.7 pt-20 -73.33 -47.56 41.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -49.13 -42.42 39.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.407 ' C ' HD22 ' A' ' 101' ' ' LEU . . . -53.42 -43.2 67.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.46 -41.64 75.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 81.8 mt -52.15 -59.36 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.6 m -53.51 -47.09 70.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.54 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 24.6 ttt -44.02 -61.13 1.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.5 t -55.92 -46.35 80.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' SER . 19.8 m120 -53.46 -59.84 4.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -40.48 -44.18 1.99 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.462 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 28.1 m-85 -75.16 -34.01 61.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 114' ' ' TYR . 30.2 t -36.65 -38.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.8 -40.88 7.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.8 t -94.73 129.2 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 48.7 m -101.38 106.4 45.44 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.542 0.687 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.462 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.0 Cg_endo -75.48 158.68 40.21 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -144.09 112.16 6.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.2 mt -90.79 129.95 36.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 47.37 41.29 12.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.2 m120 59.13 44.88 15.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -153.14 105.01 2.62 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.601 0.715 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -42.47 141.2 2.34 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.775 2.317 . . . . 0.0 112.302 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 32.2 pt -116.04 162.36 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.42 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 13.2 m-30 -108.57 136.82 47.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 67.9 mt -141.67 119.19 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -155.41 156.5 35.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -60.26 151.06 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.5 t -82.45 137.6 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -52.05 -62.53 1.57 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.547 ' CD2' HG22 ' A' ' 138' ' ' THR . 2.1 m80 -79.87 154.48 28.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -95.03 42.17 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -156.28 132.26 9.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.95 -61.76 2.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -109.18 92.44 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.547 HG22 ' CD2' ' A' ' 133' ' ' HIS . 72.7 p -62.03 119.12 8.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 13.0 m -115.5 120.8 40.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 104.7 165.96 24.34 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.393 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.08 -41.74 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 89.9 p -155.94 164.66 38.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.9 t -111.71 147.7 35.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.8 m -147.26 129.48 15.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.3 t -144.21 152.19 40.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.68 70.61 1.07 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.462 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.5 p -111.02 95.35 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 110.808 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 m -114.63 162.89 16.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -112.14 -129.29 5.25 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.512 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -130.28 98.07 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.828 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -127.85 82.46 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.1 mmt -58.35 141.04 52.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.47 140.75 58.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.35 -110.18 1.87 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 76.95 75.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.575 0.702 . . . . 0.0 111.057 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.68 134.63 13.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.298 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 m -113.59 147.43 38.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -79.7 -40.97 27.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 61' ' ' LEU . 78.8 t -84.55 145.58 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.421 ' N ' HG12 ' A' ' 60' ' ' VAL . 68.0 mt -115.4 140.37 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.455 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 9.7 t-80 -96.67 115.38 27.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.4 mt -107.82 143.17 18.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.455 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -142.01 168.12 20.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 65' ' ' LYS . 1.1 mptp? 59.34 40.55 21.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.3 mt -72.61 143.93 85.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -46.9 165.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.732 2.288 . . . . 0.0 112.309 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.403 ' C ' ' CG ' ' A' ' 69' ' ' GLU . . . -74.19 137.26 22.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' CG ' ' C ' ' A' ' 68' ' ' GLY . 3.5 pt-20 40.66 49.99 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.951 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 p -83.47 141.2 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.6 p -92.04 144.88 25.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -44.47 -44.07 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.2 m -38.99 -39.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.165 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.73 -47.86 73.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.71 -14.59 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.1 mt -90.23 -49.97 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -13.01 27.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.4 HD12 ' CD2' ' A' ' 121' ' ' LEU . 79.6 mt -96.22 -10.72 27.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -113.23 -16.87 8.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.509 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.648 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 27.9 mt -67.09 -41.72 36.72 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.664 0.745 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.4 Cg_exo -47.98 -38.69 31.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.744 2.296 . . . . 0.0 112.347 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -87.83 -46.22 9.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -163.59 164.92 36.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -69.41 134.1 48.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.3 t -81.24 120.44 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.429 ' CG2' ' HA ' ' A' ' 102' ' ' ALA . 65.1 p -92.61 -43.25 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -142.63 145.63 33.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.9 tt -143.59 140.22 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.3 tp -129.34 119.53 24.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.1 ttm -114.83 113.53 24.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.7 mt -85.13 129.99 34.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 94' ' ' LYS . 58.2 tttt -74.95 167.79 21.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.76 -76.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.557 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 92' ' ' LYS . 32.3 mttp -71.65 151.8 43.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.841 0.353 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.21 84.3 6.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -158.71 134.43 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -154.28 130.94 10.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -96.95 128.86 44.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.7 tp -114.24 143.45 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -131.84 131.99 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.87 174.16 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.429 ' HA ' ' CG2' ' A' ' 86' ' ' THR . . . -47.49 -52.65 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 76.6 p -134.08 -179.42 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -76.23 -38.9 55.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -50.42 -32.43 17.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.15 -41.75 63.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.88 -55.49 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.9 mt -40.91 -62.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 110' ' ' MET . 77.8 m -47.4 -54.09 12.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 109' ' ' THR . 9.7 ttt -34.54 -64.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.7 t -54.69 -43.25 65.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -57.49 -62.46 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -45.53 -39.25 7.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 116' ' ' ALA . 25.3 m-85 -74.21 -35.19 63.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 114' ' ' TYR . 28.6 t -37.81 -32.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 114' ' ' TYR . . . -103.28 -46.35 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.9 t -94.66 132.27 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.566 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 20.7 m -101.77 122.28 48.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.545 0.688 . . . . 0.0 111.136 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.03 160.65 33.34 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.682 2.255 . . . . 0.0 112.388 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.566 ' CE1' ' O ' ' A' ' 118' ' ' THR . 20.7 m80 -152.25 109.82 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.4 ' CD2' HD12 ' A' ' 78' ' ' LEU . 23.2 mt -94.77 123.84 38.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? 52.12 39.28 26.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 63.51 37.84 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -145.72 104.88 4.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.61 0.719 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -44.41 148.96 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.604 2.203 . . . . 0.0 112.439 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 40.4 pt -128.51 159.64 39.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.402 ' CG ' ' HD3' ' A' ' 65' ' ' LYS . 6.0 m-30 -104.21 135.83 44.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 52.7 mt -142.3 129.6 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -158.73 -179.0 7.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -73.48 161.49 30.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.8 p -94.86 166.74 11.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -102.74 175.2 5.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -41.06 -29.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -79.66 57.99 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -51.77 177.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -38.94 -57.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -63.34 147.09 52.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 41.2 p -142.86 121.88 12.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.9 p -112.61 120.75 42.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -59.97 142.94 47.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -79.69 34.08 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.636 2.224 . . . . 0.0 112.339 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.7 m -125.41 152.65 44.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.0 t -169.34 152.42 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.447 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 46' ' ' SER . 62.3 m -131.69 -55.07 1.01 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' SER . 40.5 p 35.08 42.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.46 108.12 0.67 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.8 m -117.48 155.24 30.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.8 p -85.72 174.09 9.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.444 ' C ' ' OD1' ' A' ' 51' ' ' ASP . . . -144.54 -109.79 0.67 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' OD1' ' C ' ' A' ' 50' ' ' GLY . 0.9 OUTLIER -147.92 143.5 27.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.866 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -47.67 162.69 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.5 mtp -57.76 175.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -47.58 136.74 9.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.44 -80.88 0.17 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -173.64 104.93 0.3 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.569 0.699 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.64 171.14 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.727 2.284 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.7 m -152.96 146.78 25.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -59.37 -44.72 92.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 98' ' ' PHE . 90.2 t -83.16 131.86 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.4 mt -99.21 127.52 45.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.565 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 9.1 t-80 -93.17 109.2 20.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 64' ' ' ARG . 32.5 mt -109.65 142.87 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.565 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -139.77 176.75 8.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 0.0 OUTLIER 57.13 42.21 26.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.9 mt -67.44 141.68 95.82 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.632 0.729 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.77 145.97 9.0 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.89 123.74 31.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 54.32 48.08 21.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.878 0.37 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 p -81.45 159.4 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.0 p -112.28 135.41 52.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.08 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -40.93 -44.47 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.9 m -42.32 -41.81 2.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.59 -58.15 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.39 -33.69 62.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.1 mt -67.77 -67.94 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.58 -21.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.422 ' C ' ' HD2' ' A' ' 81' ' ' PRO . 50.3 mt -86.75 -30.0 21.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.43 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -91.25 -23.34 29.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.433 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.631 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 22.2 mt -56.7 -42.56 96.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.528 0.68 . . . . 0.0 110.935 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.1 Cg_exo -47.96 -54.12 5.67 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 48.8 m-85 -63.95 -51.21 65.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.87 -171.86 21.36 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 85' ' ' VAL . 0.2 OUTLIER -87.42 142.32 27.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.854 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.425 ' N ' ' HD3' ' A' ' 84' ' ' LYS . 70.6 t -91.89 109.43 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.7 p -95.21 -48.16 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -130.68 143.38 50.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.8 tt -143.33 141.5 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.8 tp -136.66 109.03 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.3 ttm -114.18 111.99 22.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.0 mt -77.97 118.44 20.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -49.88 72.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.0 -119.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.471 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -40.09 140.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.325 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -70.89 85.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -155.34 138.47 15.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -150.76 143.31 24.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.431 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 48.2 m-85 -114.1 120.69 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.7 tp -109.59 129.37 55.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -116.4 117.46 29.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' ALA . 6.5 mp -92.12 162.07 14.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -36.79 -60.29 0.62 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.9 p -123.71 158.58 31.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 105' ' ' GLU . 7.1 pt-20 -61.92 -46.06 91.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 104' ' ' GLU . 10.9 tt0 -36.57 -49.89 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.01 76.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.79 -57.97 7.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.1 mt -47.08 -63.95 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.6 m -37.88 -47.48 1.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.564 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 10.1 ttt -63.04 -48.28 79.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.815 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 82.6 t -55.13 -40.4 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.165 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 113' ' ' TYR . 1.7 m-80 -67.16 -61.45 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 112' ' ' ASN . 48.0 t80 -37.84 -38.59 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.541 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 30.9 m-85 -88.07 -38.95 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' TYR . 12.6 t -35.02 -39.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.92 -40.97 8.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.9 t -95.79 128.87 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.0 m -99.9 104.52 29.11 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.534 0.683 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.546 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 60.8 Cg_endo -74.82 -177.23 3.28 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.751 2.301 . . . . 0.0 112.356 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 21.6 m-70 -162.57 119.22 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.4 mt -102.13 127.95 48.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 56.7 mtp85 48.77 40.42 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 27.5 t30 61.41 42.89 11.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -151.31 105.03 2.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -43.39 151.98 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 43.8 pt -126.67 148.45 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.515 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 3.4 m-85 -103.24 144.47 31.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 127' ' ' TYR . 59.5 mt -145.9 131.61 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 130' ' ' TYR . 53.3 tt0 -171.24 160.36 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.457 ' N ' ' HG2' ' A' ' 129' ' ' GLN . 5.6 m-85 -67.94 137.18 54.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.5 t -77.44 -179.66 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 133' ' ' HIS . 76.9 m-20 -95.4 74.86 3.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 132' ' ' ASN . 38.1 m-70 34.82 40.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -96.37 80.14 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -67.27 142.41 56.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 20.5 mt -78.87 98.1 6.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -53.25 163.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.8 p -75.08 -19.88 59.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.8 m -76.94 -54.46 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 122.88 -174.14 16.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -46.01 129.18 12.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.409 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.0 t -61.99 176.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.4 m -113.43 114.71 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.422 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.5 p -164.99 156.54 15.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.374 . . . . 0.0 110.849 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.7 m -122.13 97.36 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.81 -129.56 2.91 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -107.01 83.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.4 p -105.65 95.93 6.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.83 -134.64 10.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -133.87 174.4 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.57 150.49 12.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 4.3 mtp -99.36 43.84 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -40.44 107.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.785 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.27 -106.79 0.83 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.524 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.74 76.83 70.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.556 0.693 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.22 179.54 6.42 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.341 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.7 t -142.71 136.58 29.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -62.82 -28.73 70.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.467 HG22 ' CD2' ' A' ' 136' ' ' LEU . 64.4 t -100.86 126.47 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.1 mt -109.02 140.48 42.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.569 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 33.1 t-80 -95.88 141.11 29.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 127' ' ' TYR . 29.3 mt -133.44 140.86 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -130.3 172.27 12.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 0.1 OUTLIER 60.49 40.95 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.5 mt -79.04 143.91 62.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.613 0.721 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.21 127.56 13.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.24 . . . . 0.0 112.418 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -42.48 118.25 1.66 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 59.18 48.52 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.4 p -75.22 152.6 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.4 p -96.3 134.24 39.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -43.23 -49.33 6.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 86.8 m -40.8 -36.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.182 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -61.45 -67.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 t -56.42 -33.09 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 74.7 mt -67.95 -44.25 85.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.46 -16.74 61.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 65.9 mt -90.79 -18.76 24.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.409 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -99.64 -23.23 11.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.522 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 19.8 mt -59.3 -41.87 89.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.5 Cg_exo -47.88 -41.4 32.27 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.371 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -90.81 -50.52 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.12 165.57 32.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -74.49 156.05 37.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.34 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.54 137.65 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.19 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.1 p -116.92 -38.79 3.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -137.35 135.36 36.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.5 tt -143.19 138.74 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.0 tp -131.05 111.92 12.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.3 tpp -107.06 125.12 50.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.453 HD13 ' NE2' ' A' ' 96' ' ' GLN . 91.3 mt -91.75 135.74 33.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -73.25 -63.86 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -50.19 -94.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -57.65 134.73 56.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' LYS . 2.1 m-80 -73.5 76.87 1.44 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.453 ' NE2' HD13 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -156.66 162.0 39.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -163.36 156.29 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.551 ' CZ ' ' CD2' ' A' ' 62' ' ' HIS . 40.9 m-85 -113.97 124.75 52.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.2 tp -109.26 147.81 32.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -137.49 123.48 20.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.1 mp -100.29 159.66 14.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.49 -57.2 9.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.035 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.3 p -99.75 159.46 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.98 -24.95 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -65.88 -29.37 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.89 87.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.12 -49.96 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 80.5 mt -45.6 -59.2 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 79.0 m -64.34 -34.71 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 24.2 ttt -56.18 -64.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 130' ' ' TYR . 61.5 t -45.23 -55.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.7 m-80 -44.68 -59.85 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ASN . 90.5 t80 -37.68 -41.72 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.541 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 40.4 m-85 -84.68 -32.3 23.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 112' ' ' ASN . 22.6 t -36.52 -43.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.34 -39.43 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 65.7 t -87.36 129.7 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.419 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 20.0 m -100.14 106.49 42.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.541 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.8 Cg_endo -77.81 172.27 15.95 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.766 2.31 . . . . 0.0 112.348 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.469 ' CG ' ' C ' ' A' ' 119' ' ' PRO . 13.3 m-70 -159.08 109.46 2.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 26.3 mt -89.94 137.56 32.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 45.83 36.38 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 13.2 m120 65.11 46.08 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -158.45 113.48 1.7 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -43.53 153.32 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 24.8 pt -128.72 160.74 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.489 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 11.5 m-30 -108.11 134.55 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.2 mt -133.54 124.86 49.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 7.0 tp-100 -155.89 158.33 37.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.562 ' CE1' HG21 ' A' ' 111' ' ' VAL . 4.1 m-85 -68.08 156.59 37.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.8 m -111.58 157.43 20.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -73.62 -55.06 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -78.8 151.29 32.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 42.89 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -174.65 133.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.467 ' CD2' HG22 ' A' ' 60' ' ' VAL . 3.5 mm? -87.8 -43.15 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -91.63 124.14 35.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 70.4 p -116.02 125.84 53.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.6 m -69.19 -64.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 119.66 97.89 1.72 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -42.85 158.18 0.08 OUTLIER 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 53.9 p -127.45 141.79 51.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 45.0 m -83.32 121.88 27.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.9 t -160.88 148.99 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.3 p -70.94 108.47 4.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.08 124.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.0 t -117.95 -51.64 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -108.52 157.3 18.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.57 -116.8 1.39 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.53 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 65.63 45.39 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -102.95 103.17 13.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -136.6 120.45 17.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -83.54 167.49 17.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.11 -47.32 0.19 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -115.33 77.53 5.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.545 0.688 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.87 152.0 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.735 2.29 . . . . 0.0 112.299 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -144.24 154.78 43.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -81.0 -38.21 27.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.8 t -85.07 133.55 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.1 mt -114.99 139.85 49.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.689 ' CE1' ' CD ' ' A' ' 64' ' ' ARG . 9.7 t-160 -87.92 117.24 26.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.5 mt -112.35 137.06 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.689 ' CD ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -146.82 172.19 14.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.458 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 22.5 mmmt 62.36 32.26 16.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 86.5 mt -73.75 144.29 82.79 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.712 0.768 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -46.4 138.39 13.8 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.6 119.7 10.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 61.73 42.68 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.67 140.21 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.8 p -89.47 136.9 32.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -40.36 -48.15 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 90.3 m -37.6 -40.39 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -60.4 -67.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.0 t -52.83 -40.32 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.87 -55.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.12 -20.03 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.3 mt -88.63 -24.15 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -94.86 -21.37 26.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.515 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.648 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 24.5 mt -62.02 -41.91 78.86 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.8 Cg_exo -48.03 -50.76 11.2 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.631 2.22 . . . . 0.0 112.303 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.562 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 61.2 m-85 -69.26 -46.22 67.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.17 -98.64 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.539 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -166.71 135.07 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.418 ' CG1' HD13 ' A' ' 99' ' ' LEU . 74.9 t -79.67 118.65 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.44 ' CG2' ' HA ' ' A' ' 102' ' ' ALA . 82.2 p -99.23 -41.75 7.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -136.62 124.21 22.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.4 tt -124.56 151.69 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.485 HD23 ' CD1' ' A' ' 98' ' ' PHE . 19.9 tp -137.1 115.82 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.7 ttm -112.79 130.03 56.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.0 mt -101.48 145.15 29.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -73.76 -19.74 60.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 94' ' ' LYS . . . -48.35 175.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.404 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 93' ' ' GLY . 0.0 OUTLIER -36.65 -60.86 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.874 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 0.2 OUTLIER -168.33 104.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 95' ' ' ASN . 51.5 mt-30 -162.84 138.78 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -165.43 157.23 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.485 ' CD1' HD23 ' A' ' 89' ' ' LEU . 14.4 m-85 -130.65 132.42 45.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.418 HD13 ' CG1' ' A' ' 85' ' ' VAL . 8.8 tp -112.84 146.68 38.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -133.5 107.97 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.85 154.5 40.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.44 ' HA ' ' CG2' ' A' ' 86' ' ' THR . . . -39.24 -52.78 1.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 62.2 p -133.2 167.77 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.115 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 105' ' ' GLU . 11.5 pt-20 -66.48 -44.79 81.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 9.6 tt0 -37.86 -43.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.5 -46.38 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.065 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.41 -51.73 63.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.0 mt -50.88 -53.79 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.6 m -63.86 -37.64 88.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.562 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 9.7 ttt -53.76 -65.73 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.556 HG21 ' CE1' ' A' ' 130' ' ' TYR . 87.2 t -42.68 -61.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.7 m-80 -38.51 -59.91 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -37.47 -38.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 115' ' ' SER . 34.5 m-85 -88.75 -35.82 16.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 114' ' ' TYR . 17.7 t -36.24 -39.1 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.93 -42.62 6.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.068 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.2 t -92.78 132.6 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 26.4 m -101.12 109.79 59.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.71 . . . . 0.0 111.179 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.513 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 60.9 Cg_endo -75.38 168.82 23.76 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.513 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 23.8 m-70 -161.33 119.33 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.7 mt -100.16 137.86 38.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 49.74 43.02 24.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 61.18 39.97 15.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -150.54 146.51 19.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.529 0.681 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.31 151.55 43.35 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.624 2.216 . . . . 0.0 112.389 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 37.8 pt -127.49 154.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.458 ' CE2' ' HG3' ' A' ' 65' ' ' LYS . 9.3 m-85 -99.78 136.3 39.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.417 HG13 ' C ' ' A' ' 127' ' ' TYR . 64.0 mt -146.87 124.2 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -154.11 -178.07 6.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.556 ' CE1' HG21 ' A' ' 111' ' ' VAL . 2.8 m-85 -82.81 151.28 26.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.973 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 36.6 t -118.36 113.69 21.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.798 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.491 ' O ' ' CG ' ' A' ' 133' ' ' HIS . 20.4 m-20 -79.52 96.15 6.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 132' ' ' ASN . 47.0 m-70 -164.5 135.22 4.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -47.28 -50.89 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -148.76 -178.46 6.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.2 tt -81.43 -48.34 12.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -82.06 131.61 35.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 88.1 m -68.2 118.65 11.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.6 p -58.21 155.78 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -163.86 95.45 0.12 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.54 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.29 132.72 12.01 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.367 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 57.1 p -103.51 132.17 50.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 91.8 p -93.06 -49.18 6.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.918 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.1 m 53.74 42.06 31.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 110.892 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.4 m -65.43 155.11 36.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.93 60.38 2.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -93.04 42.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.8 m -96.03 171.49 8.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -87.86 50.77 4.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.45 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -66.95 162.99 20.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -122.73 114.04 20.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.5 mmt -125.94 87.72 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -142.5 161.75 37.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 169.31 -95.79 0.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.43 80.18 72.88 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.559 0.695 . . . . 0.0 111.104 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.69 152.36 1.01 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.8 m -120.07 154.34 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -80.89 -35.72 32.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 61' ' ' LEU . 89.0 t -86.22 138.63 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.417 ' CD1' ' SD ' ' A' ' 110' ' ' MET . 81.4 mt -115.35 138.88 50.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.522 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 11.8 t-80 -94.28 143.75 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.5 mt -140.1 135.98 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.522 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -123.98 177.74 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt 53.22 46.92 25.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.412 HD11 ' CB ' ' A' ' 97' ' ' ALA . 34.1 mt -69.54 136.93 88.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.543 0.687 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -47.86 133.3 22.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.48 112.52 1.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 68.67 44.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.933 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.401 HG21 ' N ' ' A' ' 71' ' ' THR . 8.2 p -74.69 148.16 8.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.401 ' N ' HG21 ' A' ' 70' ' ' VAL . 36.9 p -105.42 139.88 39.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -40.19 -50.45 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.4 m -39.87 -41.72 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -55.78 -67.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 91.9 t -53.87 -42.83 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.1 mt -58.93 -45.93 91.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.7 -23.07 66.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.3 -13.41 35.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.2 -7.85 39.78 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.65 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 22.0 mt -78.93 -41.93 1.7 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.8 Cg_exo -47.91 -21.44 2.63 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.29 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 63.1 m-85 -102.49 -49.83 3.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.03 -129.5 1.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.71 130.22 37.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.5 t -83.47 116.35 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.0 p -96.61 -36.32 10.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -133.47 135.89 44.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.05 142.98 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.6 tp -136.22 119.22 16.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.1 ttm -122.43 120.29 33.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.8 mt -84.1 132.26 34.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -71.54 -51.17 24.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -57.45 -94.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.529 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -59.57 159.78 7.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -89.87 70.23 7.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -139.07 157.39 46.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.412 ' CB ' HD11 ' A' ' 66' ' ' LEU . . . -165.47 139.61 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -113.47 127.32 56.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.5 tp -109.47 154.2 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -141.5 125.71 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.422 ' N ' HD13 ' A' ' 101' ' ' LEU . 6.5 mp -98.45 165.67 11.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.08 -54.55 12.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.4 p -116.28 168.51 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 107' ' ' ALA . 10.7 pt-20 -76.73 -45.93 27.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' A' ' 104' ' ' GLU . 21.8 tt0 -38.52 -53.12 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.28 -39.71 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 104' ' ' GLU . . . -62.49 -51.97 65.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.6 mt -55.65 -57.79 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.5 m -56.84 -36.68 70.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.56 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 15.3 ttt -55.99 -56.85 15.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.1 t -58.01 -42.08 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -57.35 -57.68 11.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -45.23 -36.58 4.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.459 ' CE1' ' HG3' ' A' ' 119' ' ' PRO . 21.8 m-85 -79.02 -32.0 44.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.9 t -43.38 -33.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.32 -41.01 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.06 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 89.3 t -97.38 132.21 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.464 HG21 ' CE1' ' A' ' 120' ' ' HIS . 31.9 m -104.38 104.82 46.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.58 0.705 . . . . 0.0 111.199 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.459 ' HG3' ' CE1' ' A' ' 114' ' ' TYR . 60.4 Cg_endo -74.29 167.32 27.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.464 ' CE1' HG21 ' A' ' 118' ' ' THR . 20.7 m-70 -155.67 135.71 12.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.6 mt -113.01 134.78 54.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 45.09 43.04 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 58.94 46.14 14.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -154.91 105.03 2.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.555 0.693 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -42.3 152.35 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 37.3 pt -124.8 158.51 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.175 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -107.72 133.85 51.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 53.2 mt -134.26 120.21 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.442 ' OE1' ' NH2' ' A' ' 64' ' ' ARG . 7.7 mt-30 -146.63 157.77 43.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -63.08 131.74 49.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 54.3 p -55.18 178.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -103.66 175.68 5.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -48.16 -31.47 5.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -79.69 47.24 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 136' ' ' LEU . 8.2 pt-20 -66.19 145.4 55.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 135' ' ' GLU . 24.8 mt -35.03 120.17 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -64.25 148.3 50.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 70.8 p -107.05 115.44 30.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 81.9 p -49.89 151.55 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 169.63 79.59 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -76.95 105.59 2.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.266 . . . . 0.0 112.329 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.4 m -56.83 -45.51 82.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 15.1 t 52.71 42.43 31.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.469 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.5 p -167.15 121.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.382 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.8 p -96.94 154.95 16.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.74 48.14 0.78 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.408 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.6 p -93.08 170.17 9.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 55.0 m -153.89 133.29 12.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 178.24 -99.65 0.13 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.565 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.72 146.39 44.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.924 0.393 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -123.18 174.31 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.96 107.69 7.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.9 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.77 144.99 3.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 140.86 -39.07 1.49 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.58 80.84 31.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.72 . . . . 0.0 111.097 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.64 165.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.719 2.279 . . . . 0.0 112.419 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 m -136.8 167.3 21.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -90.92 -43.64 9.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 61' ' ' LEU . 88.6 t -83.46 142.37 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.46 ' N ' HG12 ' A' ' 60' ' ' VAL . 79.8 mt -116.03 137.32 52.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.523 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 12.0 t-160 -87.98 120.32 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.813 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.2 mt -121.1 135.58 60.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.523 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -144.51 -176.8 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.503 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 6.6 mmtp 52.17 28.34 5.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.2 mt -60.77 143.53 90.92 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.623 0.725 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -46.3 154.68 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.78 135.41 32.81 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 50.1 46.3 24.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.358 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.5 p -88.75 147.53 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.5 p -109.3 151.79 26.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 73' ' ' THR . 92.9 mt-10 -45.25 -42.65 9.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' GLU . 50.9 m -34.88 -47.03 0.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -58.43 -65.44 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.64 -31.34 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 65.4 mt -70.75 -63.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.74 -17.53 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.42 ' C ' ' HD2' ' A' ' 81' ' ' PRO . 51.2 mt -92.91 -24.42 18.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.414 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -93.14 -25.55 19.06 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 22.3 mt -58.83 -41.89 91.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.722 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.0 Cg_exo -47.98 -49.9 12.94 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.311 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 51.8 m-85 -78.49 -50.79 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.57 172.15 34.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -77.6 141.71 39.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.5 t -80.78 113.81 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.426 ' CG2' ' HA ' ' A' ' 102' ' ' ALA . 36.7 p -102.7 -44.31 5.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.452 ' HB3' ' CD2' ' A' ' 136' ' ' LEU . 4.3 m-20 -134.57 126.12 28.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.6 tt -129.8 150.48 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.428 HD22 ' CD1' ' A' ' 98' ' ' PHE . 29.2 tp -139.83 123.32 17.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.2 ttm -124.23 140.54 52.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 80.4 mt -112.93 143.64 43.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -76.52 -16.28 59.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' LYS . . . -53.68 -176.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.401 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 93' ' ' GLY . 19.7 mtpt -35.55 -67.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.465 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 36.8 m-20 -170.68 106.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.465 ' CG ' ' O ' ' A' ' 95' ' ' ASN . 34.4 mt-30 -164.7 134.73 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -161.88 148.06 13.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.428 ' CD1' HD22 ' A' ' 89' ' ' LEU . 7.2 m-85 -120.69 135.27 55.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.2 tp -112.64 147.54 36.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -139.31 111.27 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.407 HD23 ' CB ' ' A' ' 106' ' ' ALA . 7.1 mp -82.73 151.03 26.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.426 ' HA ' ' CG2' ' A' ' 86' ' ' THR . . . -37.58 -56.17 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.3 p -113.22 153.43 28.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -66.34 -46.67 76.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -38.74 -52.29 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.407 ' CB ' HD23 ' A' ' 101' ' ' LEU . . . -54.7 -52.04 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.42 -40.41 62.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.0 mt -60.32 -54.99 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.0 m -56.73 -40.43 75.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.215 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.509 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 13.6 ttt -46.76 -63.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.52 -40.37 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -52.49 -56.91 11.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -50.29 -42.62 52.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 115' ' ' SER . 15.9 m-85 -66.85 -36.58 82.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 114' ' ' TYR . 23.1 t -35.48 -39.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.12 -41.94 8.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.7 t -101.79 128.98 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.558 HG22 ' CE1' ' A' ' 120' ' ' HIS . 26.6 m -101.04 117.37 62.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.108 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.46 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 61.1 Cg_endo -75.8 165.34 30.3 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.381 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.558 ' CE1' HG22 ' A' ' 118' ' ' THR . 38.9 m-70 -159.16 107.24 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.855 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.7 mt -87.22 133.08 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? 46.1 44.07 11.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 56.89 45.85 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -156.4 107.86 2.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.647 0.737 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -43.85 157.81 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 41.5 pt -131.29 149.49 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.503 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 3.2 m-85 -89.43 133.53 34.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 81.0 mt -147.74 126.71 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -156.21 -178.2 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.995 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -85.53 162.04 19.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 78.1 p -106.77 108.47 19.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -92.29 -46.38 7.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -120.33 -37.14 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -81.72 47.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -88.35 138.83 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 87' ' ' ASN . 32.2 tp -54.61 -46.09 73.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 10.0 mmmt -46.89 144.43 2.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 30.4 p -149.09 170.54 18.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.1 t -137.56 153.15 50.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -175.04 99.14 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.08 173.56 14.3 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 33.5 p -129.63 151.55 50.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 83.4 p -79.35 160.26 26.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.559 -0.217 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.1 p -107.27 -60.97 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.7 p -41.24 117.08 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.05 77.07 0.17 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.539 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.8 p -60.63 107.58 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.91 0.385 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -60.66 170.38 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.56 -105.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.14 139.94 47.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -167.27 127.12 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 12.8 mmt -113.48 94.39 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -114.1 119.67 37.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -106.55 -129.06 6.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.435 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.467 ' N ' ' HD3' ' A' ' 57' ' ' PRO . . . 73.18 54.65 0.3 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.58 0.705 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 56' ' ' ALA . 72.3 Cg_exo -44.66 151.03 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.651 2.234 . . . . 0.0 112.405 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.5 m -121.56 162.85 19.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.448 ' C ' ' OE1' ' A' ' 100' ' ' GLU . 59.8 mtt85 -82.43 -45.77 14.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.4 ' CG1' ' HB3' ' A' ' 98' ' ' PHE . 66.9 t -86.9 144.29 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.051 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.4 mt -121.88 146.91 46.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.589 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 17.5 t-80 -103.99 135.09 46.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 64' ' ' ARG . 59.8 mt -130.58 137.44 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.589 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -123.38 -176.85 3.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? 52.1 41.54 30.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.407 ' CD1' ' HB1' ' A' ' 97' ' ' ALA . 49.5 mt -72.85 140.83 81.3 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.595 0.712 . . . . 0.0 110.909 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.04 141.04 12.96 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.16 125.01 7.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 45.55 52.81 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.926 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.7 p -78.45 146.99 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.7 p -98.1 145.18 26.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -46.73 -47.46 20.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.9 m -43.95 -40.54 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -57.03 -61.81 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.17 -41.79 81.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.2 -48.56 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.68 -24.46 3.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.43 ' C ' ' HD2' ' A' ' 81' ' ' PRO . 32.9 mt -88.25 -22.23 24.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.43 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -92.29 -27.24 16.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 21.1 mt -57.22 -42.29 95.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.582 0.706 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.5 Cg_exo -48.01 -55.2 4.24 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.324 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.508 ' CZ ' ' HA ' ' A' ' 110' ' ' MET . 96.7 m-85 -66.25 -50.02 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.21 -114.84 0.54 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -149.44 137.98 20.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.3 t -84.48 114.0 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.6 p -97.21 -39.7 9.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -131.26 126.92 36.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.9 tt -129.22 144.53 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.2 tp -133.9 111.34 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.1 tpp -111.61 106.8 15.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.7 mt -71.07 107.74 4.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -67.62 127.04 31.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.61 -38.3 3.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -104.28 177.54 4.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.778 0.323 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -108.58 44.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -130.13 138.04 50.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.407 ' HB1' ' CD1' ' A' ' 66' ' ' LEU . . . -151.15 143.37 24.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.4 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 33.7 m-85 -109.42 126.05 53.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.8 tp -112.17 145.11 40.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' A' ' 59' ' ' ARG . 32.2 tp10 -130.03 136.8 49.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.465 ' CD2' ' HB1' ' A' ' 106' ' ' ALA . 5.4 mp -105.99 159.35 16.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.18 -59.9 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.064 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.4 p -110.48 164.29 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.01 -35.07 77.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -58.72 -53.57 56.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.465 ' HB1' ' CD2' ' A' ' 101' ' ' LEU . . . -38.91 -40.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.423 ' N ' HD23 ' A' ' 101' ' ' LEU . . . -69.61 -52.22 27.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 64.2 mt -46.07 -52.91 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.6 m -56.68 -43.06 80.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 82' ' ' PHE . 10.8 ttt -51.06 -62.52 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.804 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.541 HG21 ' CE1' ' A' ' 130' ' ' TYR . 97.6 t -48.18 -62.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.6 m-80 -48.67 -61.49 2.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 4.0 t80 -38.34 -38.78 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 115' ' ' SER . 18.8 m-85 -83.27 -36.48 24.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 114' ' ' TYR . 4.5 t -34.28 -41.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -89.34 -43.35 10.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.4 t -107.86 127.0 64.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 75.7 m -100.69 119.71 57.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.698 . . . . 0.0 111.086 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.52 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 62.5 Cg_endo -76.54 178.71 7.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 19.6 m-70 -161.99 108.75 1.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 24.6 mt -87.81 135.22 33.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 49.03 40.62 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.94 39.56 23.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -146.43 112.21 4.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.74 141.97 7.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 44.9 pt -116.69 158.05 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.401 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 3.5 m-30 -106.64 133.26 51.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 53.2 mt -133.29 132.72 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.469 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 8.8 tp60 -166.05 160.27 16.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.541 ' CE1' HG21 ' A' ' 111' ' ' VAL . 13.9 m-85 -66.45 166.25 12.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.4 t -114.33 144.42 43.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -73.14 -55.33 6.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -38.61 146.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -63.87 -48.73 75.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -156.38 172.95 17.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 137' ' ' LYS . 52.2 tp -83.91 114.61 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 136' ' ' LEU . 16.4 pttt 34.24 42.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 10.1 t -59.27 146.66 38.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 61.9 m -143.98 130.58 20.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.798 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -178.27 -102.88 0.16 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.78 40.83 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.643 2.228 . . . . 0.0 112.338 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 83.2 p -54.26 157.41 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 t -75.08 -44.54 46.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.799 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.409 -0.277 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.8 p -43.56 126.77 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.899 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.4 m -98.73 39.68 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.76 -64.16 4.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.471 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -109.09 114.27 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.824 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -128.61 166.57 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.18 -65.23 3.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -150.89 169.01 22.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -112.98 152.23 29.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 40.4 ttp -142.0 146.1 35.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.76 176.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.803 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.11 -110.13 0.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.82 74.9 6.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.535 0.683 . . . . 0.0 111.156 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.18 125.7 8.97 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.615 2.21 . . . . 0.0 112.372 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t -109.07 136.19 48.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -64.82 -28.08 69.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.4 t -92.22 135.19 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 mt -112.23 137.93 49.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.631 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 11.6 t-80 -89.96 121.9 32.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.1 mt -117.59 131.11 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.631 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -132.09 174.19 10.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm 56.78 53.99 7.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.8 mt -92.01 151.63 42.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.566 0.698 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.91 142.33 74.97 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.18 149.06 46.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 60.18 26.35 15.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.15 139.93 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.4 p -96.9 152.49 18.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -51.63 -37.77 51.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.0 m -40.14 -42.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -58.84 -54.59 45.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.1 t -63.08 -35.45 71.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 86.0 mt -65.77 -52.74 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.79 -17.47 15.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.9 mt -92.18 -25.39 18.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -96.66 -9.86 56.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.443 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.7 mt -75.11 -41.85 4.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.648 0.737 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.5 Cg_exo -48.08 -30.49 14.35 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.301 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -92.37 -47.35 7.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.01 -127.66 1.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 1.6 tppp? -133.66 142.7 48.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.423 ' CG1' HD11 ' A' ' 99' ' ' LEU . 44.6 t -96.64 95.73 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.4 p -89.01 -39.14 13.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -128.5 127.98 43.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.7 tt -143.4 152.07 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 tp -140.67 130.19 24.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.7 ttm -130.66 125.59 34.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.2 mt -91.56 120.05 32.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -60.15 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -51.78 -78.59 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.443 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -67.74 157.93 33.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.41 ' C ' ' NE2' ' A' ' 96' ' ' GLN . 1.9 m-20 -92.64 44.52 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.41 ' NE2' ' C ' ' A' ' 95' ' ' ASN . 2.4 mp0 -117.65 157.48 26.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -162.07 141.18 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -110.5 124.49 51.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.423 HD11 ' CG1' ' A' ' 85' ' ' VAL . 15.2 tp -112.81 139.82 48.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -126.36 144.39 50.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.7 mp -116.02 142.22 47.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -40.21 -47.67 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 48.3 p -104.63 164.42 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -90.31 -46.88 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -46.69 -28.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.63 -43.63 62.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.41 -41.62 80.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.0 mt -63.19 -48.87 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' MET . 36.5 m -61.92 -51.72 66.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 109' ' ' THR . 9.6 ttt -34.99 -54.66 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.95 -54.24 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -44.56 -50.57 9.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -48.68 -50.62 32.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 116' ' ' ALA . 23.6 m-85 -69.0 -28.15 66.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 114' ' ' TYR . 10.2 t -37.44 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' TYR . . . -108.78 -34.75 6.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.1 t -95.67 135.79 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 5.4 m -105.64 108.08 60.74 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.599 0.714 . . . . 0.0 111.129 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.438 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 60.8 Cg_endo -75.12 151.2 38.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 118' ' ' THR . 8.3 m80 -147.29 121.05 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.809 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.2 mt -104.12 137.95 41.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? 45.34 35.89 2.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.5 t30 63.88 47.12 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -159.06 104.96 1.56 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.557 0.694 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -43.81 149.4 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.3 pt -118.06 164.59 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 64' ' ' ARG . 6.6 m-30 -107.2 129.35 54.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 68.6 mt -132.99 116.73 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -146.06 148.25 32.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -54.26 147.6 13.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.9 t -97.11 123.16 40.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.793 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -61.05 -35.96 78.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -62.92 148.43 47.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -88.03 -52.35 5.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -99.33 145.56 27.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.7 tt -71.04 -52.94 16.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -53.27 138.51 32.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 60.0 p -89.08 115.34 26.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.159 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.3 m -43.25 150.76 0.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -157.19 177.59 33.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.432 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.09 153.47 32.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.377 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.5 t -124.56 135.85 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 t -149.03 124.78 10.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.564 179.949 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -156.39 116.82 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.388 . . . . 0.0 110.862 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.1 p -153.14 171.24 18.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.836 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -178.84 -96.61 0.1 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.1 p 38.15 42.26 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 110.836 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.2 t -126.0 106.91 9.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.09 100.98 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.516 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -100.87 177.32 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.815 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -115.54 118.58 33.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.4 ptm -159.57 130.39 5.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -153.44 140.57 19.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -108.93 -87.75 1.9 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.55 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.51 76.1 34.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.632 0.73 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.49 161.18 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.631 2.221 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.6 m -138.12 133.39 33.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.9 -38.12 72.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 65.2 t -87.5 145.5 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.409 HD21 ' CG2' ' A' ' 111' ' ' VAL . 55.6 mt -115.96 134.92 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 9.4 t-80 -88.14 132.72 34.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 64' ' ' ARG . 54.0 mt -135.41 143.65 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.519 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -150.31 -177.47 5.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 127' ' ' TYR . 39.4 mttt 48.68 44.45 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.8 mt -84.57 153.72 61.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.68 139.82 13.21 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.72 128.33 36.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.438 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 48.32 52.72 13.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 p -81.7 151.68 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.3 p -97.92 132.31 43.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' THR . 73.5 mt-10 -45.57 -46.98 14.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' GLU . 23.0 m -35.55 -40.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.86 -64.92 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.4 t -51.84 -41.19 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 71.8 mt -61.07 -54.51 34.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.33 -21.01 21.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 52.9 mt -89.04 -18.14 27.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.31 -5.48 55.88 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.0 mt -78.84 -41.86 1.74 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 63.8 Cg_exo -47.92 -29.23 11.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.64 2.227 . . . . 0.0 112.371 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -90.72 -45.42 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.32 -92.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.449 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 85' ' ' VAL . 13.1 ttmm -166.94 155.07 9.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.463 ' N ' ' HG2' ' A' ' 84' ' ' LYS . 96.9 t -105.74 98.53 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.3 p -80.8 -42.31 21.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.411 ' CG ' HD11 ' A' ' 136' ' ' LEU . 4.9 t-20 -128.95 138.05 51.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.8 tt -142.86 138.23 27.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.7 tp -131.71 108.04 9.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.1 tpp -110.89 121.44 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.8 mt -93.11 141.47 28.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -92.81 -45.12 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -50.06 -55.33 15.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.448 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -113.79 167.89 10.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -87.67 65.72 8.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -136.54 153.13 51.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -162.9 146.42 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -120.34 132.19 55.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.8 tp -121.75 136.4 54.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -121.09 114.51 21.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.462 ' CD2' ' HB1' ' A' ' 106' ' ' ALA . 6.9 mp -80.93 158.3 25.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.27 -52.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.8 p -136.63 171.48 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.074 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 107' ' ' ALA . 11.6 pt-20 -64.51 -50.73 66.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 104' ' ' GLU . 10.2 tm-20 -35.65 -48.21 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.462 ' HB1' ' CD2' ' A' ' 101' ' ' LEU . . . -64.72 -44.07 91.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 104' ' ' GLU . . . -58.67 -49.03 79.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 69.6 mt -54.5 -61.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.176 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 60.2 m -54.34 -41.94 69.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.173 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 17.2 ttt -49.0 -50.73 34.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.409 ' CG2' HD21 ' A' ' 61' ' ' LEU . 61.8 t -67.32 -39.48 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -55.78 -50.97 69.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -54.09 -38.98 65.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.468 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 18.6 m-85 -75.34 -36.43 61.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.7 m -38.88 -42.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.19 -42.2 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.08 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 78.3 t -87.59 127.02 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.559 HG22 ' CE1' ' A' ' 120' ' ' HIS . 13.7 m -100.1 106.47 41.79 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.591 0.71 . . . . 0.0 111.186 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.468 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.2 Cg_endo -77.27 158.1 33.36 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.559 ' CE1' HG22 ' A' ' 118' ' ' THR . 32.8 m-70 -151.66 119.96 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.827 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 21.7 mt -99.76 139.03 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 44.08 46.36 7.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 t30 59.73 45.05 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.424 ' CD ' ' HD2' ' A' ' 125' ' ' PRO . 10.5 tp60 -155.41 138.46 10.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.564 0.697 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.424 ' HD2' ' CD ' ' A' ' 124' ' ' GLN . 61.0 Cg_endo -74.56 143.45 30.66 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.424 HD11 ' CD1' ' A' ' 128' ' ' ILE . 17.2 pt -113.38 154.18 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 65' ' ' LYS . 3.6 m-30 -107.32 111.17 23.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 129' ' ' GLN . 58.7 mt -125.8 147.02 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.452 ' OE1' ' NH2' ' A' ' 64' ' ' ARG . 10.3 pt20 -171.49 -177.94 2.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -70.49 148.12 48.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.2 t -96.92 124.36 40.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.814 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -56.04 -50.77 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -64.33 147.38 52.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -90.51 -48.44 7.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -102.31 164.96 11.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.411 HD11 ' CG ' ' A' ' 87' ' ' ASN . 21.1 mt -108.93 59.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 47.84 44.43 18.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 9.3 t -144.96 134.56 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.4 m -72.16 -60.31 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 118.11 -95.42 0.64 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.7 143.82 21.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.1 t -83.1 143.98 30.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.6 m -112.18 -45.88 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.541 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.92 0.39 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -62.36 -34.23 76.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.0 t -83.56 135.98 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.59 HD21 ' HB1' ' A' ' 107' ' ' ALA . 33.0 mt -117.55 136.7 53.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.023 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.572 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 10.7 t-160 -93.3 144.01 25.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.833 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.582 HG23 ' O ' ' A' ' 127' ' ' TYR . 73.1 mt -135.0 132.75 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.572 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -127.15 171.86 11.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 127' ' ' TYR . 6.6 mtpm? 56.1 48.71 17.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.779 HD11 ' HB3' ' A' ' 97' ' ' ALA . 47.8 mt -81.94 143.27 49.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.09 132.59 18.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.277 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.24 115.05 4.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.44 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 69.53 42.42 1.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 p -73.93 143.79 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 72' ' ' GLU . 77.0 p -96.39 135.08 38.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.938 ' OE1' HD11 ' A' ' 76' ' ' ILE . 9.9 tt0 -36.45 -52.64 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' GLU . 23.6 m -35.44 -52.94 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.76 -57.99 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.26 -24.4 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.938 HD11 ' OE1' ' A' ' 72' ' ' GLU . 90.9 mt -78.62 -36.51 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.12 63.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.588 HD11 HD21 ' A' ' 121' ' ' LEU . 83.5 mt -87.29 -9.78 54.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.437 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -108.61 -23.05 6.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.517 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.645 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 26.4 mt -58.62 -42.07 92.4 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.634 0.73 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 63.8 Cg_exo -47.94 -55.22 4.2 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.638 2.225 . . . . 0.0 112.362 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.532 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 21.7 m-85 -72.58 -50.94 22.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -162.91 -171.25 28.9 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -90.81 140.46 29.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.6 t -87.84 109.45 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 p -88.65 -28.31 20.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -146.35 139.25 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.853 HD13 ' HG3' ' A' ' 72' ' ' GLU . 6.6 tt -143.56 139.98 26.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp -127.76 112.88 15.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.401 ' HE2' ' HB2' ' A' ' 90' ' ' MET . 16.0 tpp -112.25 105.38 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.824 0.345 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -127.52 157.18 40.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.779 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -165.67 149.52 8.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -118.29 129.07 55.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.7 tp -110.12 148.88 30.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -136.62 117.22 13.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.562 HD23 ' HB1' ' A' ' 106' ' ' ALA . 8.2 mp -87.11 156.74 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.69 -55.71 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.5 p -125.11 164.98 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.29 -41.87 89.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -45.6 -46.15 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.562 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -58.11 -29.73 65.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.59 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -74.74 -60.86 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 90.9 mt -41.66 -47.79 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 63.6 m -68.62 -38.7 80.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.532 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 12.1 ttt -55.21 -66.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.8 HG21 ' CE1' ' A' ' 130' ' ' TYR . 84.8 t -40.75 -59.25 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 115' ' ' SER . 2.6 m120 -37.6 -60.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -40.17 -43.37 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.556 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 29.4 m-85 -80.84 -31.15 35.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 112' ' ' ASN . 9.4 t -44.95 -33.03 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.74 -36.17 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.0 t -96.74 132.32 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.7 m -102.14 104.93 39.75 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.556 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.5 Cg_endo -76.49 164.4 30.68 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.607 2.205 . . . . 0.0 112.385 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -150.95 125.2 9.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.754 HD12 HG21 ' A' ' 126' ' ' ILE . 27.1 mt -104.63 130.85 52.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 55.4 44.1 27.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.807 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 17.2 m120 62.25 30.57 17.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 121' ' ' LEU . 67.0 mt-30 -139.06 148.53 57.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.48 142.27 26.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.242 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.754 HG21 HD12 ' A' ' 121' ' ' LEU . 27.1 pt -119.71 149.36 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.582 ' O ' HG23 ' A' ' 63' ' ' ILE . 10.6 m-30 -100.45 135.78 41.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.524 HD13 ' CE2' ' A' ' 114' ' ' TYR . 68.9 mt -142.69 121.72 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.147 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -155.63 171.24 20.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.8 ' CE1' HG21 ' A' ' 111' ' ' VAL . 4.4 m-85 -67.56 172.02 5.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.949 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 53.6 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.841 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.877 0.37 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.3 ptt-85 -64.78 -13.27 54.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.5 t -108.52 149.25 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.495 HD21 ' HB1' ' A' ' 107' ' ' ALA . 36.3 mt -123.17 139.58 53.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.497 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 7.2 t-80 -99.82 119.4 38.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.784 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.405 HG21 HD21 ' A' ' 66' ' ' LEU . 67.9 mt -114.94 144.2 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.497 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -138.16 173.68 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mttt 57.66 51.19 9.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 97' ' ' ALA . 56.3 mt -85.95 142.97 36.9 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.582 0.706 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -47.02 149.78 3.2 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.667 2.245 . . . . 0.0 112.297 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.91 142.06 47.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.418 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 42.25 45.66 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.2 p -84.88 142.57 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.049 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 72' ' ' GLU . 37.6 p -98.66 135.0 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 71' ' ' THR . 10.8 mt-10 -35.69 -39.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -37.73 -46.42 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.466 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -54.3 -67.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.3 t -51.58 -42.35 29.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 85.0 mt -57.62 -54.3 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.6 -20.36 55.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.468 HD11 HD21 ' A' ' 121' ' ' LEU . 72.3 mt -89.71 -11.73 41.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.34 -14.46 13.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.562 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.8 mt -69.56 -41.81 17.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.637 0.732 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.9 Cg_exo -47.94 -37.69 29.83 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.466 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 51.1 m-85 -81.52 -50.87 8.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.27 -124.11 0.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.529 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -134.55 142.0 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.788 0.328 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.2 t -95.88 106.87 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.7 p -97.57 -40.45 8.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -128.47 129.24 45.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.8 tt -141.01 152.09 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.5 tp -144.64 119.08 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 16.1 ttm -120.98 135.13 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 96' ' ' GLN . 15.9 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.458 ' HB2' HD12 ' A' ' 91' ' ' LEU . 45.3 mt-30 -125.07 161.64 26.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.515 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -165.96 131.58 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -99.35 138.68 36.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.2 tp -118.63 152.53 35.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -144.07 107.32 4.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.1 mp -83.08 167.2 18.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.0 -52.29 3.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.7 p -138.3 143.41 39.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -48.97 -34.73 13.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -39.03 -51.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.61 -45.06 80.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.495 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -47.72 -43.83 27.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.6 -48.2 89.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 42.0 m -64.43 -34.06 77.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.466 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 15.5 ttt -60.06 -51.95 67.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 130' ' ' TYR . 38.8 t -61.04 -45.4 98.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -51.44 -53.85 32.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -51.33 -40.78 59.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.562 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 17.2 m-85 -76.72 -26.76 55.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.9 m -52.92 -34.55 55.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.85 -43.38 6.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.1 t -94.54 131.59 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.4 m -101.21 105.12 37.43 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.543 0.687 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.562 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.4 Cg_endo -76.25 162.75 33.54 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.405 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -152.12 126.11 9.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.795 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.484 HD12 HG21 ' A' ' 126' ' ' ILE . 32.6 mt -101.6 143.33 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 40.12 46.49 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 59.34 49.59 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 125' ' ' PRO . 10.4 tt0 -160.03 141.74 9.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.553 0.692 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 124' ' ' GLN . 60.1 Cg_endo -74.18 148.98 40.1 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.666 2.244 . . . . 0.0 112.305 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.484 HG21 HD12 ' A' ' 121' ' ' LEU . 43.5 pt -121.39 153.93 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 64' ' ' ARG . 5.7 m-30 -101.53 126.41 48.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 38.4 mt -131.57 126.88 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -157.79 156.68 31.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.599 ' CE1' HG21 ' A' ' 111' ' ' VAL . 5.6 m-85 -58.12 131.99 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.8 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.889 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.854 0.359 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -57.35 -48.97 77.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.419 ' CG2' ' OE1' ' A' ' 100' ' ' GLU . 83.8 t -87.49 122.6 39.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.668 HD21 ' HB1' ' A' ' 107' ' ' ALA . 41.0 mt -94.9 146.13 24.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.627 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 9.4 t-160 -98.33 128.42 44.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.679 HG23 ' O ' ' A' ' 127' ' ' TYR . 73.3 mt -125.99 134.59 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.627 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -130.23 -177.64 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 16.5 mmtp 53.62 50.87 16.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.504 HD11 ' CB ' ' A' ' 97' ' ' ALA . 48.2 mt -82.35 141.36 45.82 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.569 0.7 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.408 ' HD3' HG22 ' A' ' 126' ' ' ILE . 73.4 Cg_exo -47.44 161.58 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.63 108.46 2.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 73.8 46.55 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.93 0.395 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 p -84.06 150.16 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.1 p -98.61 161.11 13.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.99 -42.18 81.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.459 ' HA ' HD12 ' A' ' 76' ' ' ILE . 71.9 m -43.34 -36.42 1.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.199 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.792 ' OE1' HD22 ' A' ' 121' ' ' LEU . 36.8 mt-10 -62.23 -62.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.5 t -54.66 -39.94 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 73' ' ' THR . 35.3 mt -62.29 -51.28 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.86 -16.47 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 80.7 mt -93.11 -20.0 20.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -103.83 -10.5 34.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.426 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 23.8 mt -71.13 -41.83 11.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.729 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.3 Cg_exo -48.1 -31.16 15.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.604 2.203 . . . . 0.0 112.382 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.456 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 59.7 m-85 -96.94 -46.48 6.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.73 158.03 29.53 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' A' ' 85' ' ' VAL . 5.7 tmtt? -66.44 142.83 57.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.441 ' N ' ' HD3' ' A' ' 84' ' ' LYS . 79.3 t -93.87 109.26 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.1 p -86.82 -44.99 11.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -131.0 137.49 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.9 tt -142.03 141.11 29.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.4 tp -133.85 121.14 21.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.9 ttm -120.75 113.99 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.559 HD12 ' HB2' ' A' ' 96' ' ' GLN . 38.4 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.559 ' HB2' HD12 ' A' ' 91' ' ' LEU . 88.1 mt-30 -127.56 153.33 46.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.504 ' CB ' HD11 ' A' ' 66' ' ' LEU . . . -151.05 132.58 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -103.61 121.05 42.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.0 tp -109.16 143.68 38.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.419 ' OE1' ' CG2' ' A' ' 60' ' ' VAL . 28.8 tt0 -131.33 130.86 43.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 101' ' ' LEU . 6.5 mp -106.92 167.95 9.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.59 -56.29 14.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.9 p -113.38 162.95 15.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -74.61 -23.05 58.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 108' ' ' ILE . 33.7 mm-40 -67.66 -41.45 83.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.2 -32.89 64.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.668 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -76.02 -41.01 52.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 105' ' ' GLU . 65.2 mt -58.13 -65.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.3 m -52.63 -34.89 53.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.456 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 13.5 ttt -62.1 -48.57 79.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 107' ' ' ALA . 99.7 t -63.58 -36.4 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.109 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.16 -55.53 24.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -45.51 -36.52 4.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.422 ' CE1' ' HG3' ' A' ' 119' ' ' PRO . 12.0 m-85 -85.13 -37.33 20.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 65.1 m -39.27 -32.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.33 -39.61 6.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 76.2 t -92.33 132.16 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.4 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 13.9 m -103.53 102.44 29.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.728 . . . . 0.0 111.187 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.487 ' C ' ' CG ' ' A' ' 120' ' ' HIS . 62.4 Cg_endo -78.33 174.06 12.94 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.487 ' CG ' ' C ' ' A' ' 119' ' ' PRO . 13.0 m-70 -160.17 120.64 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.792 HD22 ' OE1' ' A' ' 74' ' ' GLU . 27.5 mt -101.13 137.4 39.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? 49.06 42.41 20.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 62.0 40.68 12.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -150.16 144.77 17.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.82 144.1 24.16 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.591 HG21 HD12 ' A' ' 121' ' ' LEU . 22.1 pt -118.88 154.38 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.679 ' O ' HG23 ' A' ' 63' ' ' ILE . 4.0 m-30 -105.16 130.92 53.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 62.5 mt -135.7 126.71 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -164.3 -179.67 6.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -72.73 157.3 37.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.908 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.327 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -95.14 -25.52 16.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.3 t -92.57 125.42 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.644 HD21 ' HB1' ' A' ' 107' ' ' ALA . 45.9 mt -103.64 139.49 38.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.531 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 22.3 t60 -99.36 121.82 41.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 127' ' ' TYR . 25.2 mt -118.36 142.77 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.531 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -141.53 173.36 11.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.534 ' HD3' ' CE1' ' A' ' 127' ' ' TYR . 11.5 mtpt 61.44 42.31 11.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt -76.86 143.57 71.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.612 0.72 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.87 160.24 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.33 128.21 8.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.444 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 57.76 45.12 19.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.6 148.29 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.3 p -98.08 133.76 42.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -41.98 -45.58 3.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 m -38.61 -41.95 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.672 ' OE1' HD22 ' A' ' 121' ' ' LEU . 35.9 mt-10 -56.26 -57.65 11.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.9 t -60.77 -45.5 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.38 -62.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.447 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -56.4 -17.29 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.709 HD11 HD21 ' A' ' 121' ' ' LEU . 33.5 mt -89.77 -20.19 23.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.3 0.77 35.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.453 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.1 mt -78.84 -41.86 1.74 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 67.2 Cg_exo -48.04 -29.34 11.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.291 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.519 ' CZ ' ' HA ' ' A' ' 110' ' ' MET . 55.9 m-85 -92.58 -49.99 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -162.08 172.33 38.19 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.92 132.61 37.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 23.7 t -80.83 127.57 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.0 p -114.84 -42.19 3.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -128.75 126.83 40.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.41 HD12 ' CD1' ' A' ' 99' ' ' LEU . 13.3 tt -141.56 144.16 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 tp -135.67 107.09 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.449 ' HA ' ' CB ' ' A' ' 97' ' ' ALA . 31.7 ttm -111.2 128.17 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.612 HD12 ' HG3' ' A' ' 96' ' ' GLN . 45.5 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.612 ' HG3' HD12 ' A' ' 91' ' ' LEU . 1.8 pt20 -151.09 151.45 32.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.449 ' CB ' ' HA ' ' A' ' 90' ' ' MET . . . -158.15 145.43 18.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -106.48 124.35 49.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.41 ' CD1' HD12 ' A' ' 88' ' ' ILE . 15.9 tp -109.05 141.08 41.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -130.14 105.89 8.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 101' ' ' LEU . 6.8 mp -75.37 162.56 28.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -36.33 -59.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.8 p -129.59 163.65 25.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -64.5 -22.78 67.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -58.28 -37.6 75.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.92 -40.18 54.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.644 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -62.01 -50.38 72.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 97.2 mt -51.66 -50.73 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.1 m -60.79 -44.89 96.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.519 ' HA ' ' CZ ' ' A' ' 82' ' ' PHE . 11.5 ttt -47.43 -61.74 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.7 t -56.39 -39.07 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 115' ' ' SER . 26.0 m120 -58.83 -57.29 13.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -43.64 -45.41 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.42 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 34.9 m-85 -71.44 -27.61 63.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 112' ' ' ASN . 6.0 t -38.73 -31.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -110.4 -37.59 5.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.5 t -93.14 134.73 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.616 HG22 ' CE1' ' A' ' 120' ' ' HIS . 11.4 m -100.99 107.64 50.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.71 . . . . 0.0 111.057 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.42 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.6 Cg_endo -77.28 144.95 23.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.616 ' CE1' HG22 ' A' ' 118' ' ' THR . 30.6 m-70 -145.24 121.95 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.709 HD21 HD11 ' A' ' 78' ' ' LEU . 22.3 mt -101.51 136.27 41.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 54.99 30.45 14.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 45.7 t30 73.08 35.17 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -145.8 144.56 22.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.9 147.3 30.51 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.619 2.212 . . . . 0.0 112.356 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 13.4 pt -115.99 157.39 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.534 ' CE1' ' HD3' ' A' ' 65' ' ' LYS . 4.7 m-30 -101.49 130.16 47.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.1 mt -135.17 133.87 52.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 33.4 tp60 -165.27 146.3 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.404 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 3.2 m-85 -53.41 165.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.808 0.337 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -76.11 -30.48 58.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.661 HG22 ' HB2' ' A' ' 100' ' ' GLU . 43.1 t -95.05 137.29 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.9 mt -114.91 143.37 45.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.461 ' CD2' HH11 ' A' ' 64' ' ' ARG . 74.9 t60 -103.16 136.67 42.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.822 HG23 ' O ' ' A' ' 127' ' ' TYR . 16.0 mt -128.16 140.42 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.061 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.461 HH11 ' CD2' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -130.28 177.27 7.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.532 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 29.9 mmtm 57.82 41.88 24.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 86.6 mt -70.3 141.32 88.46 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.634 0.731 . . . . 0.0 110.946 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.5 148.31 5.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.2 113.25 5.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 66.42 47.14 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 p -81.61 148.73 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.2 p -103.59 145.14 30.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -46.51 -46.7 19.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 92.4 m -41.5 -36.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.96 -67.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.0 t -53.91 -39.64 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.403 HG23 HG21 ' A' ' 85' ' ' VAL . 93.6 mt -60.94 -53.25 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -57.03 -15.67 5.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.944 HD11 HD21 ' A' ' 121' ' ' LEU . 38.4 mt -94.78 -17.86 21.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.88 -4.45 48.41 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.476 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.1 mt -76.56 -41.78 2.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.3 Cg_exo -47.99 -36.37 27.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.27 . . . . 0.0 112.364 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.556 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 48.9 m-85 -82.03 -50.78 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -157.39 -147.94 4.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -112.96 137.5 51.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.403 HG21 HG23 ' A' ' 76' ' ' ILE . 84.7 t -80.68 125.04 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.158 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.3 p -106.6 -32.95 7.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -152.14 133.17 14.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.422 HG12 ' N ' ' A' ' 89' ' ' LEU . 9.3 tt -137.32 151.96 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.422 ' N ' HG12 ' A' ' 88' ' ' ILE . 52.9 tp -136.78 121.07 18.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 37.2 tpp -115.13 106.28 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.2 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.915 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.785 0.326 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -129.15 148.64 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.1 161.08 43.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -131.68 125.21 31.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.9 tp -109.41 143.84 38.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.661 ' HB2' HG22 ' A' ' 60' ' ' VAL . 15.5 tt0 -132.97 115.42 15.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.488 HD23 ' HB1' ' A' ' 106' ' ' ALA . 7.4 mp -87.03 155.07 20.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.84 -49.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.8 p -133.66 155.76 49.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -63.02 -17.87 62.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.85 -49.44 76.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.488 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -65.28 -24.52 67.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.46 -56.82 4.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.1 mt -50.06 -49.14 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.3 m -59.91 -46.35 89.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.556 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 9.0 ttt -46.03 -60.79 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.2 t -55.47 -46.6 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -48.23 -49.42 33.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -57.62 -28.7 63.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 17.3 m-85 -83.64 -31.35 26.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.5 t -41.29 -38.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.39 -43.14 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 86.1 t -85.87 134.01 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.543 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 18.6 m -102.93 105.74 46.9 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.608 0.718 . . . . 0.0 111.13 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.55 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.2 Cg_endo -78.41 147.71 23.0 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' A' ' 118' ' ' THR . 1.9 m80 -141.88 115.91 9.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.944 HD21 HD11 ' A' ' 78' ' ' LEU . 25.5 mt -90.29 146.04 24.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 11.3 mmm-85 43.38 39.86 2.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 62.8 48.29 4.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -165.51 133.51 2.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.744 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.8 165.93 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.632 HG21 HD12 ' A' ' 121' ' ' LEU . 49.1 pt -144.41 153.7 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.822 ' O ' HG23 ' A' ' 63' ' ' ILE . 11.0 m-30 -97.72 124.8 42.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.524 HD11 ' CD1' ' A' ' 126' ' ' ILE . 60.8 mt -133.92 126.49 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -161.38 179.14 8.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -78.14 147.7 34.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.1 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.86 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -87.18 32.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.452 ' O ' HD23 ' A' ' 61' ' ' LEU . 59.6 t -136.49 146.44 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 60' ' ' VAL . 72.3 mt -129.02 119.59 24.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.615 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 9.6 t-80 -92.74 137.21 32.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 127' ' ' TYR . 38.1 mt -129.91 138.84 53.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.615 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -125.04 -176.49 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 44.1 mmtm 48.42 46.21 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.571 HD11 ' CB ' ' A' ' 97' ' ' ALA . 76.4 mt -68.5 140.0 92.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.72 142.57 14.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.5 120.77 17.69 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 57.54 54.58 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 71' ' ' THR . 9.7 p -89.94 158.48 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.422 ' N ' HG22 ' A' ' 70' ' ' VAL . 57.9 p -116.32 146.11 42.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.137 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -47.03 -39.24 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 86.6 m -45.15 -31.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.95 -59.83 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.2 t -59.14 -32.28 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 74.0 mt -71.04 -59.57 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.85 -15.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.539 HD11 HD21 ' A' ' 121' ' ' LEU . 48.5 mt -97.97 -23.45 15.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -95.11 -14.72 47.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.634 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.7 mt -68.58 -41.86 24.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.4 Cg_exo -47.98 -36.12 26.79 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.701 2.267 . . . . 0.0 112.311 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 93.2 m-85 -90.81 -50.31 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.11 172.91 36.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 43.6 tptt -76.04 148.8 37.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 0.0 110.849 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.63 HG22 HD11 ' A' ' 99' ' ' LEU . 73.7 t -96.11 116.67 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.8 p -99.11 -44.88 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -127.91 137.17 52.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.7 tt -143.66 144.17 23.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.1 tp -132.78 112.37 11.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 38.6 tpp -114.18 115.85 28.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' ' 96' ' ' GLN . 35.4 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.477 ' HB2' HD12 ' A' ' 91' ' ' LEU . 37.8 mt-30 -142.32 146.48 35.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.571 ' CB ' HD11 ' A' ' 66' ' ' LEU . . . -153.62 139.12 17.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 62' ' ' HIS . 90.3 m-85 -109.92 126.11 53.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.63 HD11 HG22 ' A' ' 85' ' ' VAL . 39.1 tp -111.18 150.09 30.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -138.53 131.41 29.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.522 HD23 ' HB1' ' A' ' 106' ' ' ALA . 7.3 mp -101.76 157.63 16.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -37.08 -56.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.7 p -127.98 157.82 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -60.41 -31.43 70.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.01 -41.5 64.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.522 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -67.12 -46.78 73.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.442 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -60.32 -56.62 19.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.0 mt -43.25 -52.83 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.9 m -58.64 -44.66 90.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.468 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 19.3 ttt -51.64 -67.41 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.758 HG21 ' CE1' ' A' ' 130' ' ' TYR . 84.8 t -40.44 -60.11 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.8 m-80 -42.72 -61.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 112' ' ' ASN . 70.3 t80 -36.76 -35.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.517 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 43.1 m-85 -90.91 -34.52 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 112' ' ' ASN . 11.4 t -38.3 -38.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.81 -39.76 7.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.2 t -93.4 130.06 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.466 HG22 ' CE1' ' A' ' 120' ' ' HIS . 88.7 m -100.21 104.82 32.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.646 0.736 . . . . 0.0 111.174 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.517 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.4 Cg_endo -75.74 175.61 11.07 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.388 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 69.5 m80 -160.89 119.97 2.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.679 HD12 HG21 ' A' ' 126' ' ' ILE . 21.1 mt -100.79 133.32 45.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 46.9 43.17 13.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 62.53 42.76 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.434 ' CD ' ' HD2' ' A' ' 125' ' ' PRO . 13.7 tp60 -151.21 139.39 12.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.434 ' HD2' ' CD ' ' A' ' 124' ' ' GLN . 61.0 Cg_endo -75.16 145.85 31.41 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.679 HG21 HD12 ' A' ' 121' ' ' LEU . 45.7 pt -119.2 156.44 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.898 ' O ' HG23 ' A' ' 63' ' ' ILE . 9.3 m-30 -105.21 134.37 48.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.489 HD13 ' CD2' ' A' ' 114' ' ' TYR . 45.0 mt -134.6 121.22 34.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -153.44 160.83 42.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.758 ' CE1' HG21 ' A' ' 111' ' ' VAL . 2.9 m-85 -72.57 161.96 30.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 86.8 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.861 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.918 0.39 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.1 ptt-85 -62.85 -33.16 74.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.8 t -90.47 133.26 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.1 mt -115.74 152.11 33.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.621 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 23.3 t60 -111.28 128.1 55.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 127' ' ' TYR . 11.1 mt -121.06 144.4 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.621 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -139.73 -179.7 6.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 1.5 mmmp? 60.6 27.28 16.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.9 mt -74.97 143.73 78.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.551 0.691 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -47.07 158.82 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.391 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.33 135.06 23.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 46.03 45.75 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.378 . . . . 0.0 110.93 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -78.67 146.6 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.1 p -86.74 158.96 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' GLU . 49.8 mt-10 -65.05 -48.4 73.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' GLU . 96.6 m -35.66 -33.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.787 ' OE2' HD22 ' A' ' 121' ' ' LEU . 4.0 mm-40 -65.74 -59.06 4.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.422 ' HA ' HD12 ' A' ' 78' ' ' LEU . 10.7 t -66.58 -26.2 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.631 HG22 ' CD1' ' A' ' 80' ' ' LEU . 81.9 mt -73.15 -49.44 38.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.1 -12.45 55.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.617 HD11 HD11 ' A' ' 121' ' ' LEU . 41.4 mt -91.66 -29.09 17.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.95 -9.82 47.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.644 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.7 mt -77.99 -41.74 2.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.973 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.2 Cg_exo -48.06 -30.29 13.86 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.626 2.217 . . . . 0.0 112.348 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.497 ' CE2' ' HG2' ' A' ' 110' ' ' MET . 73.0 m-85 -88.07 -48.98 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -151.03 -144.74 3.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 36.5 tptt -113.84 147.83 37.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.435 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 18.0 t -101.57 127.95 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.144 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.8 p -112.44 -39.1 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -139.82 139.51 36.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.1 tt -140.16 143.74 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.599 HD23 ' CD1' ' A' ' 98' ' ' PHE . 9.8 tp -125.64 115.85 20.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.469 ' HG2' ' CB ' ' A' ' 97' ' ' ALA . 20.7 mtp -124.08 123.93 41.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.913 HD12 ' HB2' ' A' ' 96' ' ' GLN . 31.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.769 0.318 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.913 ' HB2' HD12 ' A' ' 91' ' ' LEU . 31.5 mt-30 -149.17 141.9 24.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 90' ' ' MET . . . -163.37 136.85 5.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.599 ' CD1' HD23 ' A' ' 89' ' ' LEU . 21.7 m-85 -102.34 156.71 17.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.4 tp -128.8 142.35 51.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -131.82 109.99 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.15 168.82 10.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.18 -55.43 35.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 58.6 p -112.61 127.58 56.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.168 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -48.3 -34.77 11.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -47.09 -52.35 15.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.5 -49.85 63.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.92 49.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 96.2 mt -54.61 -49.42 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.9 m -58.52 -42.69 88.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.189 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.497 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -52.44 -53.79 40.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.843 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.7 t -59.34 -41.09 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -61.58 -57.42 12.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -49.18 -39.89 31.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -78.72 -21.38 48.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.4 t -46.35 -38.25 8.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.5 -42.16 9.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.5 t -94.1 123.45 46.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 33.4 m -100.0 104.79 31.16 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.603 0.716 . . . . 0.0 111.094 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.508 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 60.8 Cg_endo -74.55 174.87 11.87 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 20.0 m-70 -161.1 118.14 2.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.787 HD22 ' OE2' ' A' ' 74' ' ' GLU . 22.5 mt -101.16 143.54 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 58.47 28.62 17.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 39.0 t30 70.78 31.32 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -147.33 149.93 36.15 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.642 0.734 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.56 144.07 31.46 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.682 2.255 . . . . 0.0 112.361 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.7 pt -108.12 163.69 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.619 ' O ' HG23 ' A' ' 63' ' ' ILE . 7.4 m-30 -109.24 132.01 54.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.5 mt -131.14 132.35 63.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 3.2 tp-100 -163.34 150.17 12.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.45 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 21.0 m-85 -63.82 162.28 13.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 -179.838 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.88 0.372 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.417 ' CG ' ' HB2' ' A' ' 104' ' ' GLU . 58.9 mtp180 -77.93 -36.3 49.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 100' ' ' GLU . 94.1 t -84.71 142.22 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.628 HD21 ' HB1' ' A' ' 107' ' ' ALA . 47.6 mt -116.97 135.1 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.53 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 12.3 t-80 -93.87 126.97 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.4 mt -124.09 139.96 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.53 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -136.29 176.68 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm 60.76 39.68 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.628 HD11 ' HB3' ' A' ' 97' ' ' ALA . 60.4 mt -75.08 138.6 72.46 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.648 0.737 . . . . 0.0 110.937 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -48.01 170.38 0.06 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.73 2.287 . . . . 0.0 112.337 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.16 134.63 12.88 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 54.62 43.98 29.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 p -87.42 141.17 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 72' ' ' GLU . 62.5 p -97.65 132.14 43.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.103 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' THR . 13.7 mp0 -37.43 -37.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.806 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.3 m -37.89 -50.53 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.14 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.415 HG12 HD13 ' A' ' 99' ' ' LEU . 82.5 t -48.81 -27.48 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.187 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 80.4 mt -75.49 -57.03 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.85 -12.77 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.404 HD11 HD21 ' A' ' 121' ' ' LEU . 95.6 mt -91.23 -27.71 18.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -100.17 -6.11 53.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.543 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 27.8 mt -78.36 -41.89 1.96 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.85 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.1 Cg_exo -47.95 -26.12 7.07 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -97.03 -48.38 5.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.44 -138.95 3.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -128.14 135.51 49.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.9 t -88.66 124.28 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 p -107.92 -39.26 5.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -132.59 130.94 40.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.449 HG12 ' N ' ' A' ' 89' ' ' LEU . 2.9 tt -142.3 147.52 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.449 ' N ' HG12 ' A' ' 88' ' ' ILE . 12.0 tp -138.3 123.5 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.3 ttm -121.24 119.25 31.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 96' ' ' GLN . 74.4 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.748 0.309 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.494 ' HB2' HD12 ' A' ' 91' ' ' LEU . 98.4 mt-30 -154.2 145.54 22.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.628 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -153.05 134.59 14.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 98' ' ' PHE . 3.1 m-85 -103.16 131.15 50.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.415 HD13 HG12 ' A' ' 75' ' ' VAL . 13.0 tp -116.71 148.19 41.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.439 ' HB2' HG22 ' A' ' 60' ' ' VAL . 3.8 tp10 -144.54 128.42 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 101' ' ' LEU . 5.6 mp -101.29 -177.12 3.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.22 95.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.7 p -126.36 178.41 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 107' ' ' ALA . 34.3 tt0 -91.42 -50.77 5.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 104' ' ' GLU . 43.1 mt-10 -35.04 -40.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.89 87.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.628 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -55.89 -60.35 3.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 81.4 mt -41.28 -38.75 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.6 m -75.76 -39.79 56.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.5 ttt -56.9 -46.32 82.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.4 t -67.42 -37.12 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -63.57 -48.56 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -51.22 -33.51 28.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -93.34 -25.15 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.0 t -45.47 -31.58 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.12 -32.93 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.1 t -98.53 134.22 38.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.461 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 25.5 m -102.55 103.82 34.33 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.545 0.688 . . . . 0.0 111.17 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.512 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 61.2 Cg_endo -75.31 172.54 16.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 57.8 m80 -160.6 115.78 2.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.555 HD12 HG21 ' A' ' 126' ' ' ILE . 31.5 mt -95.91 136.55 36.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 52.76 43.95 30.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 60.28 35.42 20.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 121' ' ' LEU . 44.9 mm-40 -149.01 149.2 29.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.547 0.689 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.29 157.66 49.61 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.391 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.555 HG21 HD12 ' A' ' 121' ' ' LEU . 48.8 pt -131.85 162.64 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -106.65 126.78 52.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 42.8 mt -130.76 124.43 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.476 ' CG ' ' N ' ' A' ' 130' ' ' TYR . 38.6 tt0 -162.11 168.41 22.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.476 ' N ' ' CG ' ' A' ' 129' ' ' GLN . 3.5 m-85 -62.85 165.77 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.819 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -80.3 -45.23 18.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.631 HG22 ' HB2' ' A' ' 100' ' ' GLU . 58.4 t -82.98 144.89 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 mt -117.52 142.11 47.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.492 ' CD2' ' HD2' ' A' ' 64' ' ' ARG . 51.7 t60 -97.12 130.04 44.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.647 HG23 ' O ' ' A' ' 127' ' ' TYR . 15.2 mt -124.53 144.49 34.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.492 ' HD2' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -133.96 174.89 9.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 2.6 mmmp? 53.15 46.13 27.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 97' ' ' ALA . 29.9 mt -73.96 139.64 76.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.462 ' HG2' HD13 ' A' ' 121' ' ' LEU . 73.8 Cg_exo -47.7 153.33 2.36 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.715 2.277 . . . . 0.0 112.296 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.36 142.43 42.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 41.8 47.1 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 p -88.04 148.72 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.7 p -109.14 148.88 30.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -45.07 -42.53 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 91.8 m -38.2 -41.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.12 -60.18 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.6 t -56.42 -37.49 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.4 mt -68.24 -46.62 80.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.45 -23.41 38.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.5 mt -89.05 -18.67 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.1 -20.4 18.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.378 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.649 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 26.1 mt -63.76 -41.93 67.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.56 0.695 . . . . 0.0 110.834 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.2 Cg_exo -47.88 -48.43 16.16 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -74.79 -43.02 56.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.65 -120.05 0.53 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -144.45 144.99 31.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.3 t -89.94 114.05 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.424 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 44.4 p -93.71 -42.69 9.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.424 ' OD1' ' C ' ' A' ' 86' ' ' THR . 5.7 m-20 -134.41 130.32 36.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 tt -129.35 156.63 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.1 tp -144.52 111.0 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.974 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.6 tpp -110.26 118.31 35.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.8 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -115.69 148.52 39.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -155.16 142.71 19.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.479 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 65.4 m-85 -112.28 128.12 56.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 tp -113.08 145.4 40.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.631 ' HB2' HG22 ' A' ' 60' ' ' VAL . 36.9 tt0 -131.35 132.94 44.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.403 HD22 ' CB ' ' A' ' 106' ' ' ALA . 7.1 mp -101.3 162.99 12.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.52 -53.5 37.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.6 p -111.42 156.86 20.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.5 -22.8 56.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.2 -47.65 83.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.403 ' CB ' HD22 ' A' ' 101' ' ' LEU . . . -52.18 -40.0 60.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.99 -59.22 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.047 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.8 mt -49.39 -52.33 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.8 m -65.05 -35.26 80.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 23.1 ttt -57.44 -59.17 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.763 HG21 ' CE1' ' A' ' 130' ' ' TYR . 86.2 t -46.08 -61.91 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -41.28 -55.37 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -39.18 -36.12 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 115' ' ' SER . 29.2 m-85 -90.67 -36.63 14.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 114' ' ' TYR . 38.5 t -35.14 -38.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.31 -44.75 6.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 87.1 t -91.61 129.57 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.442 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 90.3 m -100.42 109.88 58.41 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.591 0.71 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.434 ' C ' ' CG ' ' A' ' 120' ' ' HIS . 59.8 Cg_endo -73.7 170.22 20.53 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.301 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 118' ' ' THR . 21.8 m-70 -157.13 114.23 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.855 HD12 HG21 ' A' ' 126' ' ' ILE . 23.4 mt -91.94 135.4 33.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 47.07 40.12 9.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 41.5 t30 64.67 43.44 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -153.13 146.26 17.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.85 144.53 27.64 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.855 HG21 HD12 ' A' ' 121' ' ' LEU . 37.5 pt -119.86 167.59 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.647 ' O ' HG23 ' A' ' 63' ' ' ILE . 16.5 m-30 -111.66 134.92 52.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 58.0 mt -137.37 139.19 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -170.93 152.8 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.763 ' CE1' HG21 ' A' ' 111' ' ' VAL . 7.4 m-85 -53.05 138.97 29.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -83.62 19.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.51 HG22 ' HB2' ' A' ' 100' ' ' GLU . 98.2 t -131.19 122.56 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.2 mt -110.82 131.82 54.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.498 ' CD2' ' HE ' ' A' ' 64' ' ' ARG . 82.7 t60 -90.28 144.84 25.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.774 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.814 HG23 ' O ' ' A' ' 127' ' ' TYR . 8.1 mt -140.13 135.16 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.498 ' HE ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -129.77 -175.99 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.439 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 27.1 mmtp 54.05 39.49 30.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.7 mt -68.36 141.09 93.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.72 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -47.78 161.85 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.5 118.94 8.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.439 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 60.15 45.28 11.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.449 HG22 ' N ' ' A' ' 71' ' ' THR . 9.8 p -77.21 158.29 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.449 ' N ' HG22 ' A' ' 70' ' ' VAL . 70.9 p -111.09 152.05 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -54.18 -42.33 69.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 93.5 m -42.39 -34.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.169 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.06 -65.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.514 HG12 HD13 ' A' ' 99' ' ' LEU . 93.1 t -55.27 -26.14 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 88.4 mt -77.2 -48.85 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.1 -17.15 61.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.479 HD11 HD21 ' A' ' 121' ' ' LEU . 87.0 mt -90.35 -15.79 30.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.25 -12.42 19.87 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.644 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 18.0 mt -70.65 -41.86 13.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.729 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.2 Cg_exo -47.93 -40.02 32.57 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.48 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 56.8 m-85 -82.51 -50.73 8.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.61 -125.5 1.57 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.89 130.8 20.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 55.9 t -79.02 113.61 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 p -99.36 -36.87 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -133.84 128.24 34.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.412 HG12 ' N ' ' A' ' 89' ' ' LEU . 4.6 tt -135.41 151.37 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.079 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.412 ' N ' HG12 ' A' ' 88' ' ' ILE . 61.8 tp -139.38 120.88 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.6 ttm -117.97 119.34 34.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.796 0.332 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -143.52 138.67 29.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -153.3 140.65 19.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -110.69 124.14 51.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.514 HD13 HG12 ' A' ' 75' ' ' VAL . 11.0 tp -111.32 145.28 39.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.51 ' HB2' HG22 ' A' ' 60' ' ' VAL . 5.3 tt0 -135.75 128.22 30.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 101' ' ' LEU . 6.7 mp -93.6 168.55 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.87 -39.9 69.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 66.6 p -128.3 162.91 25.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.91 -25.04 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -67.59 -30.56 70.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.43 -14.77 61.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.06 -39.64 14.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.12 -49.85 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.6 m -66.12 -28.25 68.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.48 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 15.5 ttt -64.65 -61.16 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.64 HG21 ' CE1' ' A' ' 130' ' ' TYR . 48.0 t -48.59 -54.44 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -39.56 -55.05 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -43.65 -38.16 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.545 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 32.2 m-85 -88.53 -30.69 19.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.1 t -41.32 -37.19 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.11 -38.86 6.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.54 133.49 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 21.4 m -102.71 103.19 31.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.556 0.693 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.545 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.1 Cg_endo -75.63 173.96 13.62 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 62.1 m-70 -160.04 118.4 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.807 HD12 HG21 ' A' ' 126' ' ' ILE . 20.6 mt -95.5 143.23 27.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 46.51 34.14 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.9 m120 67.18 46.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -163.37 132.43 2.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.23 163.08 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.807 HG21 HD12 ' A' ' 121' ' ' LEU . 23.6 pt -140.75 149.85 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.814 ' O ' HG23 ' A' ' 63' ' ' ILE . 6.3 m-30 -97.63 131.47 44.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 68.5 mt -138.38 121.6 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.414 ' HG3' ' NH1' ' A' ' 64' ' ' ARG . 26.2 mt-30 -148.03 -178.22 6.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.64 ' CE1' HG21 ' A' ' 111' ' ' VAL . 6.5 m-85 -88.83 175.83 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.79 -179.847 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.47 ' CG ' ' HB3' ' A' ' 104' ' ' GLU . 60.8 mtp180 -83.26 -32.63 26.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.7 t -89.06 137.91 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.57 HD21 ' HB1' ' A' ' 107' ' ' ALA . 30.3 mt -113.81 137.43 51.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.663 ' CD2' ' NE ' ' A' ' 64' ' ' ARG . 83.3 t60 -93.62 140.79 29.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.538 HG21 HD21 ' A' ' 66' ' ' LEU . 75.6 mt -133.62 134.1 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.663 ' NE ' ' CD2' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -128.91 173.02 10.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 0.0 OUTLIER 55.22 49.24 17.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.538 HD21 HG21 ' A' ' 63' ' ' ILE . 41.7 mt -88.5 144.5 33.79 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.579 0.704 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -47.67 131.53 20.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.377 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.82 118.55 3.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 60.24 49.52 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.1 p -77.52 142.67 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.4 p -88.24 134.12 33.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' THR . 15.3 mt-10 -39.9 -52.22 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' GLU . 84.8 m -35.43 -40.65 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.06 -59.68 4.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.1 -45.47 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 63.5 mt -53.95 -55.54 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.504 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -53.44 -23.76 10.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.039 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.9 mt -85.69 -20.57 29.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.429 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -100.58 -21.83 12.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.433 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.631 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 24.6 mt -58.3 -41.97 92.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.581 0.705 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.2 Cg_exo -47.96 -44.45 27.53 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.548 ' CZ ' ' HA ' ' A' ' 110' ' ' MET . 24.7 m-85 -87.13 -50.47 6.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.45 164.77 31.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.429 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 85' ' ' VAL . 1.6 tmtp? -79.32 137.3 37.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.415 ' N ' ' HD3' ' A' ' 84' ' ' LYS . 97.8 t -81.19 113.36 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.0 p -99.22 -32.68 11.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -138.94 126.65 22.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.9 tt -129.78 155.86 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.4 tp -144.47 113.54 6.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 ttm -116.23 119.93 37.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.03 0 CA-C-O 120.761 0.315 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -141.57 145.81 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.24 145.21 21.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -114.83 122.37 46.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.7 tp -108.94 145.74 34.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.444 ' OE1' ' C ' ' A' ' 59' ' ' ARG . 3.4 tp10 -133.07 125.3 29.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 101' ' ' LEU . 6.0 mp -94.55 160.63 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.0 -59.28 2.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.0 p -113.08 171.47 7.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.47 ' HB3' ' CG ' ' A' ' 59' ' ' ARG . 16.7 pt-20 -73.33 -47.56 41.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.686 ' HA ' HD12 ' A' ' 108' ' ' ILE . 3.3 tt0 -49.13 -42.42 39.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.403 ' C ' HD22 ' A' ' 101' ' ' LEU . . . -53.42 -43.2 67.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.57 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -69.46 -41.64 75.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 105' ' ' GLU . 81.8 mt -52.15 -59.36 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.6 m -53.51 -47.09 70.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.548 ' HA ' ' CZ ' ' A' ' 82' ' ' PHE . 24.6 ttt -44.02 -61.13 1.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.5 t -55.92 -46.35 80.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' SER . 19.8 m120 -53.46 -59.84 4.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -40.48 -44.18 1.99 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.448 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 28.1 m-85 -75.16 -34.01 61.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 114' ' ' TYR . 30.2 t -36.65 -38.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.8 -40.88 7.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.8 t -94.73 129.2 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 48.7 m -101.38 106.4 45.44 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.542 0.687 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.448 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.0 Cg_endo -75.48 158.68 40.21 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -144.09 112.16 6.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.858 HD12 HG21 ' A' ' 126' ' ' ILE . 20.2 mt -90.79 129.95 36.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 47.37 41.29 12.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.2 m120 59.13 44.88 15.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -153.14 105.01 2.62 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.601 0.715 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -42.47 141.2 2.34 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.775 2.317 . . . . 0.0 112.302 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.858 HG21 HD12 ' A' ' 121' ' ' LEU . 32.2 pt -116.04 162.36 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 13.2 m-30 -108.57 136.82 47.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 67.9 mt -141.67 119.19 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -155.41 156.5 35.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -60.26 151.06 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.843 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.942 0.401 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -79.7 -40.97 27.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.519 HG22 ' HB2' ' A' ' 100' ' ' GLU . 78.8 t -84.55 145.58 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.539 HD21 ' HB1' ' A' ' 107' ' ' ALA . 68.0 mt -115.4 140.37 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.455 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 9.7 t-80 -96.67 115.38 27.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.592 HG21 HD21 ' A' ' 66' ' ' LEU . 70.4 mt -107.82 143.17 18.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.455 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -142.01 168.12 20.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 1.1 mptp? 59.34 40.55 21.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.592 HD21 HG21 ' A' ' 63' ' ' ILE . 53.3 mt -72.61 143.93 85.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -46.9 165.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.732 2.288 . . . . 0.0 112.309 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.403 ' C ' ' CG ' ' A' ' 69' ' ' GLU . . . -74.19 137.26 22.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' CG ' ' C ' ' A' ' 68' ' ' GLY . 3.5 pt-20 40.66 49.99 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.951 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 p -83.47 141.2 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.6 p -92.04 144.88 25.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -44.47 -44.07 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.2 m -38.99 -39.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.165 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.73 -47.86 73.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.71 -14.59 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.1 mt -90.23 -49.97 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -13.01 27.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.845 HD11 HD21 ' A' ' 121' ' ' LEU . 79.6 mt -96.22 -10.72 27.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -113.23 -16.87 8.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.509 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.648 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 27.9 mt -67.09 -41.72 36.72 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.664 0.745 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.4 Cg_exo -47.98 -38.69 31.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.744 2.296 . . . . 0.0 112.347 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -87.83 -46.22 9.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -163.59 164.92 36.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -69.41 134.1 48.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.3 t -81.24 120.44 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.436 ' CG2' ' HA ' ' A' ' 102' ' ' ALA . 65.1 p -92.61 -43.25 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -142.63 145.63 33.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.9 tt -143.59 140.22 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.3 tp -129.34 119.53 24.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.1 ttm -114.83 113.53 24.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.7 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.698 0.285 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -158.71 134.43 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.413 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -154.28 130.94 10.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -96.95 128.86 44.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.7 tp -114.24 143.45 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.519 ' HB2' HG22 ' A' ' 60' ' ' VAL . 3.7 tp10 -131.84 131.99 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.87 174.16 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.436 ' HA ' ' CG2' ' A' ' 86' ' ' THR . . . -47.49 -52.65 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 76.6 p -134.08 -179.42 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -76.23 -38.9 55.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -50.42 -32.43 17.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.15 -41.75 63.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -66.88 -55.49 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.407 HG22 ' OD1' ' A' ' 112' ' ' ASN . 68.9 mt -40.91 -62.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 110' ' ' MET . 77.8 m -47.4 -54.09 12.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 109' ' ' THR . 9.7 ttt -34.54 -64.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 130' ' ' TYR . 52.7 t -54.69 -43.25 65.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.407 ' OD1' HG22 ' A' ' 108' ' ' ILE . 11.6 m120 -57.49 -62.46 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -45.53 -39.25 7.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 116' ' ' ALA . 25.3 m-85 -74.21 -35.19 63.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 114' ' ' TYR . 28.6 t -37.81 -32.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 114' ' ' TYR . . . -103.28 -46.35 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.9 t -94.66 132.27 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.7 m -101.77 122.28 48.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.545 0.688 . . . . 0.0 111.136 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.03 160.65 33.34 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.682 2.255 . . . . 0.0 112.388 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -152.25 109.82 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.845 HD21 HD11 ' A' ' 78' ' ' LEU . 23.2 mt -94.77 123.84 38.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? 52.12 39.28 26.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 63.51 37.84 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -145.72 104.88 4.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.61 0.719 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -44.41 148.96 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.604 2.203 . . . . 0.0 112.439 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.794 HG21 HD12 ' A' ' 121' ' ' LEU . 40.4 pt -128.51 159.64 39.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -104.21 135.83 44.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 52.7 mt -142.3 129.6 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -158.73 -179.0 7.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.599 ' CE1' HG21 ' A' ' 111' ' ' VAL . 3.9 m-85 -73.48 161.49 30.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.842 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.901 0.382 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -59.37 -44.72 92.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 98' ' ' PHE . 90.2 t -83.16 131.86 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.535 HD21 ' HB1' ' A' ' 107' ' ' ALA . 89.4 mt -99.21 127.52 45.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.548 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 9.1 t-80 -93.17 109.2 20.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.693 HG23 ' O ' ' A' ' 127' ' ' TYR . 32.5 mt -109.65 142.87 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.548 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -139.77 176.75 8.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 0.0 OUTLIER 57.13 42.21 26.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.9 mt -67.44 141.68 95.82 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.632 0.729 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.77 145.97 9.0 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.89 123.74 31.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 54.32 48.08 21.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.878 0.37 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 p -81.45 159.4 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.0 p -112.28 135.41 52.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.08 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -40.93 -44.47 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.9 m -42.32 -41.81 2.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.59 -58.15 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.39 -33.69 62.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.1 mt -67.77 -67.94 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.62 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -48.58 -21.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.933 HD11 HD21 ' A' ' 121' ' ' LEU . 50.3 mt -86.75 -30.0 21.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.444 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -91.25 -23.34 29.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.433 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.631 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 22.2 mt -56.7 -42.56 96.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.528 0.68 . . . . 0.0 110.935 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.1 Cg_exo -47.96 -54.12 5.67 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 48.8 m-85 -63.95 -51.21 65.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.87 -171.86 21.36 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 85' ' ' VAL . 0.2 OUTLIER -87.42 142.32 27.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.854 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.422 ' N ' ' HD3' ' A' ' 84' ' ' LYS . 70.6 t -91.89 109.43 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.7 p -95.21 -48.16 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -130.68 143.38 50.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.8 tt -143.33 141.5 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.8 tp -136.66 109.03 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.3 ttm -114.18 111.99 22.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.0 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.785 0.326 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -155.34 138.47 15.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -150.76 143.31 24.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.441 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 48.2 m-85 -114.1 120.69 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.7 tp -109.59 129.37 55.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.418 ' HB2' HG22 ' A' ' 60' ' ' VAL . 18.8 tt0 -116.4 117.46 29.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' ALA . 6.5 mp -92.12 162.07 14.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -36.79 -60.29 0.62 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.9 p -123.71 158.58 31.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 105' ' ' GLU . 7.1 pt-20 -61.92 -46.06 91.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 104' ' ' GLU . 10.9 tt0 -36.57 -49.89 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.01 76.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.535 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -51.79 -57.97 7.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.1 mt -47.08 -63.95 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.6 m -37.88 -47.48 1.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.569 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 10.1 ttt -63.04 -48.28 79.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.815 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.678 HG21 ' HE1' ' A' ' 130' ' ' TYR . 82.6 t -55.13 -40.4 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.165 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 113' ' ' TYR . 1.7 m-80 -67.16 -61.45 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 112' ' ' ASN . 48.0 t80 -37.84 -38.59 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.53 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 30.9 m-85 -88.07 -38.95 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' TYR . 12.6 t -35.02 -39.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.92 -40.97 8.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.9 t -95.79 128.87 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.0 m -99.9 104.52 29.11 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.534 0.683 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.546 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 60.8 Cg_endo -74.82 -177.23 3.28 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.751 2.301 . . . . 0.0 112.356 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 21.6 m-70 -162.57 119.22 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.933 HD21 HD11 ' A' ' 78' ' ' LEU . 22.4 mt -102.13 127.95 48.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 56.7 mtp85 48.77 40.42 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 27.5 t30 61.41 42.89 11.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -151.31 105.03 2.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -43.39 151.98 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.684 HG21 HD12 ' A' ' 121' ' ' LEU . 43.8 pt -126.67 148.45 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 63' ' ' ILE . 3.4 m-85 -103.24 144.47 31.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 127' ' ' TYR . 59.5 mt -145.9 131.61 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.472 ' HG2' ' N ' ' A' ' 130' ' ' TYR . 53.3 tt0 -171.24 160.36 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.678 ' HE1' HG21 ' A' ' 111' ' ' VAL . 5.6 m-85 -67.94 137.18 54.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.853 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -62.82 -28.73 70.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.853 HG22 ' HB2' ' A' ' 100' ' ' GLU . 64.4 t -100.86 126.47 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.836 HD21 ' HB1' ' A' ' 107' ' ' ALA . 20.1 mt -109.02 140.48 42.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.492 ' CD2' ' HE ' ' A' ' 64' ' ' ARG . 82.8 t60 -95.88 141.11 29.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.914 HG23 ' O ' ' A' ' 127' ' ' TYR . 29.3 mt -133.44 140.86 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.492 ' HE ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -130.3 172.27 12.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 0.1 OUTLIER 60.49 40.95 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.5 mt -79.04 143.91 62.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.613 0.721 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.21 127.56 13.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.24 . . . . 0.0 112.418 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -42.48 118.25 1.66 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 59.18 48.52 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.4 p -75.22 152.6 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.4 p -96.3 134.24 39.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.443 ' HB3' HD11 ' A' ' 76' ' ' ILE . 18.0 mt-10 -43.23 -49.33 6.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 86.8 m -40.8 -36.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.182 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -61.45 -67.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 t -56.42 -33.09 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' A' ' 72' ' ' GLU . 74.7 mt -67.95 -44.25 85.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.468 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -63.46 -16.74 61.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.675 HD11 HD21 ' A' ' 121' ' ' LEU . 65.9 mt -90.79 -18.76 24.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.422 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -99.64 -23.23 11.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.522 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 19.8 mt -59.3 -41.87 89.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.5 Cg_exo -47.88 -41.4 32.27 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.371 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -90.81 -50.52 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.12 165.57 32.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -74.49 156.05 37.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.34 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.54 137.65 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.19 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.1 p -116.92 -38.79 3.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -137.35 135.36 36.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.5 tt -143.19 138.74 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.0 tp -131.05 111.92 12.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.3 tpp -107.06 125.12 50.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' LYS . 2.1 m-80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.774 0.321 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.66 162.0 39.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -163.36 156.29 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -113.97 124.75 52.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.2 tp -109.26 147.81 32.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.853 ' HB2' HG22 ' A' ' 60' ' ' VAL . 22.6 tt0 -137.49 123.48 20.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 101' ' ' LEU . 6.1 mp -100.29 159.66 14.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.49 -57.2 9.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.035 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.3 p -99.75 159.46 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.98 -24.95 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -65.88 -29.37 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.89 87.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.836 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -71.12 -49.96 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 80.5 mt -45.6 -59.2 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 79.0 m -64.34 -34.71 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 24.2 ttt -56.18 -64.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.868 HG21 ' CE1' ' A' ' 130' ' ' TYR . 61.5 t -45.23 -55.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.7 m-80 -44.68 -59.85 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ASN . 90.5 t80 -37.68 -41.72 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.594 ' CD2' HD13 ' A' ' 128' ' ' ILE . 40.4 m-85 -84.68 -32.3 23.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 112' ' ' ASN . 22.6 t -36.52 -43.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.34 -39.43 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 65.7 t -87.36 129.7 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.419 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 20.0 m -100.14 106.49 42.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.531 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.8 Cg_endo -77.81 172.27 15.95 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.766 2.31 . . . . 0.0 112.348 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.469 ' CG ' ' C ' ' A' ' 119' ' ' PRO . 13.3 m-70 -159.08 109.46 2.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.762 HD12 HG21 ' A' ' 126' ' ' ILE . 26.3 mt -89.94 137.56 32.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 45.83 36.38 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 13.2 m120 65.11 46.08 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -158.45 113.48 1.7 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -43.53 153.32 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.762 HG21 HD12 ' A' ' 121' ' ' LEU . 24.8 pt -128.72 160.74 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.914 ' O ' HG23 ' A' ' 63' ' ' ILE . 11.5 m-30 -108.11 134.55 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.594 HD13 ' CD2' ' A' ' 114' ' ' TYR . 49.2 mt -133.54 124.86 49.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 7.0 tp-100 -155.89 158.33 37.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.868 ' CE1' HG21 ' A' ' 111' ' ' VAL . 4.1 m-85 -68.08 156.59 37.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.836 -179.908 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -81.0 -38.21 27.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.8 t -85.07 133.55 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.1 mt -114.99 139.85 49.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.689 ' CE1' ' CD ' ' A' ' 64' ' ' ARG . 9.7 t-160 -87.92 117.24 26.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.615 HG21 HD21 ' A' ' 66' ' ' LEU . 61.5 mt -112.35 137.06 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.689 ' CD ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -146.82 172.19 14.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.483 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 22.5 mmmt 62.36 32.26 16.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.615 HD21 HG21 ' A' ' 63' ' ' ILE . 86.5 mt -73.75 144.29 82.79 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.712 0.768 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -46.4 138.39 13.8 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.6 119.7 10.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 61.73 42.68 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.67 140.21 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.8 p -89.47 136.9 32.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -40.36 -48.15 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 90.3 m -37.6 -40.39 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.915 ' OE1' HD22 ' A' ' 121' ' ' LEU . 10.6 mt-10 -60.4 -67.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.0 t -52.83 -40.32 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.87 -55.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -52.12 -20.03 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.402 ' C ' ' HD2' ' A' ' 81' ' ' PRO . 74.3 mt -88.63 -24.15 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -94.86 -21.37 26.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.515 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.648 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 24.5 mt -62.02 -41.91 78.86 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.8 Cg_exo -48.03 -50.76 11.2 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.631 2.22 . . . . 0.0 112.303 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 61.2 m-85 -69.26 -46.22 67.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.17 -98.64 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.539 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -166.71 135.07 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.493 HG22 HD21 ' A' ' 99' ' ' LEU . 74.9 t -79.67 118.65 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.578 HG21 ' HA ' ' A' ' 102' ' ' ALA . 82.2 p -99.23 -41.75 7.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -136.62 124.21 22.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.4 tt -124.56 151.69 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.413 HD23 ' CD1' ' A' ' 98' ' ' PHE . 19.9 tp -137.1 115.82 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.7 ttm -112.79 130.03 56.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.0 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.731 0.301 . . . . 0.0 110.865 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 95' ' ' ASN . 51.5 mt-30 -162.84 138.78 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -165.43 157.23 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.413 ' CD1' HD23 ' A' ' 89' ' ' LEU . 14.4 m-85 -130.65 132.42 45.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.493 HD21 HG22 ' A' ' 85' ' ' VAL . 8.8 tp -112.84 146.68 38.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -133.5 107.97 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.552 HD23 ' HB1' ' A' ' 106' ' ' ALA . 7.1 mp -72.85 154.5 40.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.578 ' HA ' HG21 ' A' ' 86' ' ' THR . . . -39.24 -52.78 1.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 62.2 p -133.2 167.77 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.115 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 105' ' ' GLU . 11.5 pt-20 -66.48 -44.79 81.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 9.6 tt0 -37.86 -43.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.552 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -69.5 -46.38 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.065 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.41 -51.73 63.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.0 mt -50.88 -53.79 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.6 m -63.86 -37.64 88.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.569 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 9.7 ttt -53.76 -65.73 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.831 HG21 ' CE1' ' A' ' 130' ' ' TYR . 87.2 t -42.68 -61.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.7 m-80 -38.51 -59.91 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -37.47 -38.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 115' ' ' SER . 34.5 m-85 -88.75 -35.82 16.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 114' ' ' TYR . 17.7 t -36.24 -39.1 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.93 -42.62 6.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.068 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.2 t -92.78 132.6 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.578 HG22 ' CE1' ' A' ' 120' ' ' HIS . 26.4 m -101.12 109.79 59.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.71 . . . . 0.0 111.179 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.513 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 60.9 Cg_endo -75.38 168.82 23.76 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.578 ' CE1' HG22 ' A' ' 118' ' ' THR . 23.8 m-70 -161.33 119.33 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.915 HD22 ' OE1' ' A' ' 74' ' ' GLU . 19.7 mt -100.16 137.86 38.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 49.74 43.02 24.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 61.18 39.97 15.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -150.54 146.51 19.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.529 0.681 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.31 151.55 43.35 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.624 2.216 . . . . 0.0 112.389 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.604 HG21 HD12 ' A' ' 121' ' ' LEU . 37.8 pt -127.49 154.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.483 ' CE2' ' HG3' ' A' ' 65' ' ' LYS . 9.3 m-85 -99.78 136.3 39.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.434 HG13 ' C ' ' A' ' 127' ' ' TYR . 64.0 mt -146.87 124.2 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -154.11 -178.07 6.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.831 ' CE1' HG21 ' A' ' 111' ' ' VAL . 2.8 m-85 -82.81 151.28 26.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.973 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.798 -179.78 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.816 0.341 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -80.89 -35.72 32.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.0 t -86.22 138.63 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.43 HD12 ' SD ' ' A' ' 110' ' ' MET . 81.4 mt -115.35 138.88 50.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.522 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 11.8 t-80 -94.28 143.75 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 127' ' ' TYR . 69.5 mt -140.1 135.98 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.522 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -123.98 177.74 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt 53.22 46.92 25.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.812 HD11 ' CB ' ' A' ' 97' ' ' ALA . 34.1 mt -69.54 136.93 88.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.543 0.687 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -47.86 133.3 22.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.48 112.52 1.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 68.67 44.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.933 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.2 p -74.69 148.16 8.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.9 p -105.42 139.88 39.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.518 ' HB3' HD11 ' A' ' 76' ' ' ILE . 1.2 mp0 -40.19 -50.45 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.4 m -39.87 -41.72 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -55.78 -67.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.429 ' CG1' HD13 ' A' ' 99' ' ' LEU . 91.9 t -53.87 -42.83 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.518 HD11 ' HB3' ' A' ' 72' ' ' GLU . 44.1 mt -58.93 -45.93 91.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.7 -23.07 66.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.3 -13.41 35.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.2 -7.85 39.78 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.65 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 22.0 mt -78.93 -41.93 1.7 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.8 Cg_exo -47.91 -21.44 2.63 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.29 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 63.1 m-85 -102.49 -49.83 3.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.03 -129.5 1.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.71 130.22 37.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.5 t -83.47 116.35 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.0 p -96.61 -36.32 10.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -133.47 135.89 44.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.05 142.98 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.6 tp -136.22 119.22 16.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.1 ttm -122.43 120.29 33.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.8 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.794 0.331 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -139.07 157.39 46.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.812 ' CB ' HD11 ' A' ' 66' ' ' LEU . . . -165.47 139.61 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -113.47 127.32 56.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.429 HD13 ' CG1' ' A' ' 75' ' ' VAL . 12.5 tp -109.47 154.2 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -141.5 125.71 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.45 165.67 11.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.08 -54.55 12.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.4 p -116.28 168.51 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 107' ' ' ALA . 10.7 pt-20 -76.73 -45.93 27.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' A' ' 104' ' ' GLU . 21.8 tt0 -38.52 -53.12 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.28 -39.71 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 104' ' ' GLU . . . -62.49 -51.97 65.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.6 mt -55.65 -57.79 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.5 m -56.84 -36.68 70.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.571 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 15.3 ttt -55.99 -56.85 15.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.536 HG11 ' HE1' ' A' ' 130' ' ' TYR . 91.1 t -58.01 -42.08 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -57.35 -57.68 11.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -45.23 -36.58 4.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.447 ' CE1' ' HG3' ' A' ' 119' ' ' PRO . 21.8 m-85 -79.02 -32.0 44.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.9 t -43.38 -33.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.32 -41.01 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.06 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 89.3 t -97.38 132.21 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.442 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 31.9 m -104.38 104.82 46.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.58 0.705 . . . . 0.0 111.199 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.447 ' HG3' ' CE1' ' A' ' 114' ' ' TYR . 60.4 Cg_endo -74.29 167.32 27.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 118' ' ' THR . 20.7 m-70 -155.67 135.71 12.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.527 HD12 HG21 ' A' ' 126' ' ' ILE . 22.6 mt -113.01 134.78 54.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 45.09 43.04 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 58.94 46.14 14.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -154.91 105.03 2.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.555 0.693 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -42.3 152.35 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.527 HG21 HD12 ' A' ' 121' ' ' LEU . 37.3 pt -124.8 158.51 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.175 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.478 ' O ' HG23 ' A' ' 63' ' ' ILE . 12.7 m-30 -107.72 133.85 51.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 53.2 mt -134.26 120.21 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.442 ' OE1' ' NH2' ' A' ' 64' ' ' ARG . 7.7 mt-30 -146.63 157.77 43.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.536 ' HE1' HG11 ' A' ' 111' ' ' VAL . 5.1 m-85 -63.08 131.74 49.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.837 -179.824 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.401 ' CG ' ' HB3' ' A' ' 104' ' ' GLU . 81.6 mtt180 -90.92 -43.64 9.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.477 HG22 ' HB2' ' A' ' 100' ' ' GLU . 88.6 t -83.46 142.37 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.8 mt -116.03 137.32 52.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.521 ' CD2' ' HD2' ' A' ' 64' ' ' ARG . 7.7 t60 -87.98 120.32 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.813 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.529 HG21 HD21 ' A' ' 66' ' ' LEU . 72.2 mt -121.1 135.58 60.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.521 ' HD2' ' CD2' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -144.51 -176.8 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.509 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 6.6 mmtp 52.17 28.34 5.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 63' ' ' ILE . 37.2 mt -60.77 143.53 90.92 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.623 0.725 . . . . 0.0 110.944 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -46.3 154.68 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.78 135.41 32.81 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 50.1 46.3 24.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.358 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.453 HG11 ' HB3' ' A' ' 66' ' ' LEU . 7.5 p -88.75 147.53 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.5 p -109.3 151.79 26.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 73' ' ' THR . 92.9 mt-10 -45.25 -42.65 9.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' GLU . 50.9 m -34.88 -47.03 0.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -58.43 -65.44 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.64 -31.34 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 73' ' ' THR . 65.4 mt -70.75 -63.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.74 -17.53 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.428 ' C ' ' HD2' ' A' ' 81' ' ' PRO . 51.2 mt -92.91 -24.42 18.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.426 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -93.14 -25.55 19.06 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 22.3 mt -58.83 -41.89 91.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.722 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.0 Cg_exo -47.98 -49.9 12.94 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.311 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.502 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 51.8 m-85 -78.49 -50.79 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.651 ' HA3' HD23 ' A' ' 101' ' ' LEU . . . -156.57 172.15 34.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.514 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -77.6 141.71 39.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.5 t -80.78 113.81 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.636 HG21 ' HA ' ' A' ' 102' ' ' ALA . 36.7 p -102.7 -44.31 5.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -134.57 126.12 28.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.6 tt -129.8 150.48 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.53 HD23 ' CD1' ' A' ' 98' ' ' PHE . 29.2 tp -139.83 123.32 17.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.2 ttm -124.23 140.54 52.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.465 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 36.8 m-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.719 0.295 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.465 ' CG ' ' O ' ' A' ' 95' ' ' ASN . 34.4 mt-30 -164.7 134.73 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.448 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -161.88 148.06 13.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.53 ' CD1' HD23 ' A' ' 89' ' ' LEU . 7.2 m-85 -120.69 135.27 55.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.2 tp -112.64 147.54 36.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.477 ' HB2' HG22 ' A' ' 60' ' ' VAL . 21.3 tt0 -139.31 111.27 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.826 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.651 HD23 ' HA3' ' A' ' 83' ' ' GLY . 7.1 mp -82.73 151.03 26.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.636 ' HA ' HG21 ' A' ' 86' ' ' THR . . . -37.58 -56.17 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.3 p -113.22 153.43 28.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' HB3' ' CG ' ' A' ' 59' ' ' ARG . 5.6 pt-20 -66.34 -46.67 76.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' A' ' 108' ' ' ILE . 5.1 tt0 -38.74 -52.29 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.7 -52.04 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.42 -40.41 62.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.667 HG22 ' OD1' ' A' ' 112' ' ' ASN . 65.0 mt -60.32 -54.99 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.0 m -56.73 -40.43 75.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.215 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.502 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 13.6 ttt -46.76 -63.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.52 -40.37 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.667 ' OD1' HG22 ' A' ' 108' ' ' ILE . 27.3 m120 -52.49 -56.91 11.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -50.29 -42.62 52.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 115' ' ' SER . 15.9 m-85 -66.85 -36.58 82.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 114' ' ' TYR . 23.1 t -35.48 -39.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.12 -41.94 8.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.7 t -101.79 128.98 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.6 m -101.04 117.37 62.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.46 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 61.1 Cg_endo -75.8 165.34 30.3 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.381 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 38.9 m-70 -159.16 107.24 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.855 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.609 HD12 HG21 ' A' ' 126' ' ' ILE . 20.7 mt -87.22 133.08 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? 46.1 44.07 11.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 56.89 45.85 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -156.4 107.86 2.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.647 0.737 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -43.85 157.81 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.609 HG21 HD12 ' A' ' 121' ' ' LEU . 41.5 pt -131.29 149.49 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.509 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 3.2 m-85 -89.43 133.53 34.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 127' ' ' TYR . 81.0 mt -147.74 126.71 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -156.21 -178.2 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.995 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -85.53 162.04 19.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.802 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.448 ' C ' ' OE1' ' A' ' 100' ' ' GLU . 59.8 mtt85 -82.43 -45.77 14.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.415 HG22 ' HB2' ' A' ' 100' ' ' GLU . 66.9 t -86.9 144.29 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.051 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.4 mt -121.88 146.91 46.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.457 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 55.1 t60 -103.99 135.09 46.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.861 HG23 ' O ' ' A' ' 127' ' ' TYR . 59.8 mt -130.58 137.44 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.457 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -123.38 -176.85 3.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? 52.1 41.54 30.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.5 mt -72.85 140.83 81.3 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.595 0.712 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.04 141.04 12.96 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.16 125.01 7.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 45.55 52.81 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.926 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.7 p -78.45 146.99 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.7 p -98.1 145.18 26.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.432 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 10.5 mp0 -46.73 -47.46 20.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.9 m -43.95 -40.54 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -57.03 -61.81 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.17 -41.79 81.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.2 -48.56 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.68 -24.46 3.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 121' ' ' LEU . 32.9 mt -88.25 -22.23 24.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.443 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -92.29 -27.24 16.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 21.1 mt -57.22 -42.29 95.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.582 0.706 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.5 Cg_exo -48.01 -55.2 4.24 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.324 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 110' ' ' MET . 96.7 m-85 -66.25 -50.02 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.21 -114.84 0.54 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -149.44 137.98 20.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.3 t -84.48 114.0 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.6 p -97.21 -39.7 9.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -131.26 126.92 36.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.421 HD13 ' HB3' ' A' ' 72' ' ' GLU . 18.9 tt -129.22 144.53 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.613 HD23 ' CD1' ' A' ' 98' ' ' PHE . 24.2 tp -133.9 111.34 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.1 tpp -111.61 106.8 15.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.7 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.762 HD21 ' N ' ' A' ' 95' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.747 0.308 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -130.13 138.04 50.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.15 143.37 24.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.613 ' CD1' HD23 ' A' ' 89' ' ' LEU . 33.7 m-85 -109.42 126.05 53.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.8 tp -112.17 145.11 40.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' A' ' 59' ' ' ARG . 32.2 tp10 -130.03 136.8 49.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.808 HD23 ' HB1' ' A' ' 106' ' ' ALA . 5.4 mp -105.99 159.35 16.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.18 -59.9 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.064 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.4 p -110.48 164.29 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.01 -35.07 77.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.572 ' HA ' HD12 ' A' ' 108' ' ' ILE . 5.8 tt0 -58.72 -53.57 56.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.808 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -38.91 -40.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.61 -52.22 27.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 105' ' ' GLU . 64.2 mt -46.07 -52.91 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.6 m -56.68 -43.06 80.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 82' ' ' PHE . 10.8 ttt -51.06 -62.52 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.804 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.596 HG11 ' HE1' ' A' ' 130' ' ' TYR . 97.6 t -48.18 -62.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.6 m-80 -48.67 -61.49 2.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.42 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 4.0 t80 -38.34 -38.78 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 115' ' ' SER . 18.8 m-85 -83.27 -36.48 24.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 114' ' ' TYR . 4.5 t -34.28 -41.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -89.34 -43.35 10.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.4 t -107.86 127.0 64.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 75.7 m -100.69 119.71 57.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.698 . . . . 0.0 111.086 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.52 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 62.5 Cg_endo -76.54 178.71 7.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 19.6 m-70 -161.99 108.75 1.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.559 HD12 HG21 ' A' ' 126' ' ' ILE . 24.6 mt -87.81 135.22 33.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 49.03 40.62 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.94 39.56 23.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -146.43 112.21 4.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.74 141.97 7.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.559 HG21 HD12 ' A' ' 121' ' ' LEU . 44.9 pt -116.69 158.05 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.861 ' O ' HG23 ' A' ' 63' ' ' ILE . 3.5 m-30 -106.64 133.26 51.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 53.2 mt -133.29 132.72 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.451 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 8.8 tp60 -166.05 160.27 16.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.596 ' HE1' HG11 ' A' ' 111' ' ' VAL . 13.9 m-85 -66.45 166.25 12.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.827 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -64.82 -28.08 69.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.422 HG22 ' HB2' ' A' ' 100' ' ' GLU . 39.4 t -92.22 135.19 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 mt -112.23 137.93 49.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.631 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 11.6 t-80 -89.96 121.9 32.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.407 HG21 HD21 ' A' ' 66' ' ' LEU . 64.1 mt -117.59 131.11 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.631 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -132.09 174.19 10.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm 56.78 53.99 7.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.407 HD21 HG21 ' A' ' 63' ' ' ILE . 75.8 mt -92.01 151.63 42.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.566 0.698 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.91 142.33 74.97 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.18 149.06 46.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 60.18 26.35 15.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.15 139.93 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.414 ' H ' ' HG1' ' A' ' 71' ' ' THR . 9.4 p -96.9 152.49 18.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -51.63 -37.77 51.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.0 m -40.14 -42.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -58.84 -54.59 45.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.1 t -63.08 -35.45 71.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 86.0 mt -65.77 -52.74 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.79 -17.47 15.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.9 mt -92.18 -25.39 18.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -96.66 -9.86 56.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.443 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.7 mt -75.11 -41.85 4.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.648 0.737 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.5 Cg_exo -48.08 -30.49 14.35 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.301 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 55.4 m-85 -92.37 -47.35 7.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.01 -127.66 1.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 1.6 tppp? -133.66 142.7 48.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.404 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 44.6 t -96.64 95.73 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.4 p -89.01 -39.14 13.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -128.5 127.98 43.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.501 ' HB ' HD12 ' A' ' 99' ' ' LEU . 7.7 tt -143.4 152.07 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 tp -140.67 130.19 24.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.7 ttm -130.66 125.59 34.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.701 HD21 ' N ' ' A' ' 95' ' ' ASN . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.721 0.296 . . . . 0.0 110.87 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -117.65 157.48 26.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -162.07 141.18 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -110.5 124.49 51.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.501 HD12 ' HB ' ' A' ' 88' ' ' ILE . 15.2 tp -112.81 139.82 48.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.422 ' HB2' HG22 ' A' ' 60' ' ' VAL . 59.5 tt0 -126.36 144.39 50.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.7 mp -116.02 142.22 47.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -40.21 -47.67 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 48.3 p -104.63 164.42 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -90.31 -46.88 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -46.69 -28.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.63 -43.63 62.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.41 -41.62 80.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.0 mt -63.19 -48.87 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' MET . 36.5 m -61.92 -51.72 66.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 109' ' ' THR . 9.6 ttt -34.99 -54.66 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.744 HG21 ' CE1' ' A' ' 130' ' ' TYR . 61.8 t -64.95 -54.24 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -44.56 -50.57 9.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -48.68 -50.62 32.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 116' ' ' ALA . 23.6 m-85 -69.0 -28.15 66.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 114' ' ' TYR . 10.2 t -37.44 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' TYR . . . -108.78 -34.75 6.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.1 t -95.67 135.79 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 5.4 m -105.64 108.08 60.74 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.599 0.714 . . . . 0.0 111.129 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.438 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 60.8 Cg_endo -75.12 151.2 38.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 118' ' ' THR . 8.3 m80 -147.29 121.05 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.809 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.488 HD12 HG21 ' A' ' 126' ' ' ILE . 22.2 mt -104.12 137.95 41.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? 45.34 35.89 2.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.5 t30 63.88 47.12 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -159.06 104.96 1.56 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.557 0.694 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -43.81 149.4 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.488 HG21 HD12 ' A' ' 121' ' ' LEU . 21.3 pt -118.06 164.59 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.416 ' HB3' ' CZ ' ' A' ' 64' ' ' ARG . 6.6 m-30 -107.2 129.35 54.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 68.6 mt -132.99 116.73 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -146.06 148.25 32.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.744 ' CE1' HG21 ' A' ' 111' ' ' VAL . 4.1 m-85 -54.26 147.6 13.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.793 -179.765 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.9 -38.12 72.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.468 HG22 ' HB2' ' A' ' 100' ' ' GLU . 65.2 t -87.5 145.5 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.6 mt -115.96 134.92 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.517 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 9.4 t-80 -88.14 132.72 34.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 127' ' ' TYR . 54.0 mt -135.41 143.65 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.517 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -150.31 -177.47 5.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.522 ' HD2' ' CZ ' ' A' ' 127' ' ' TYR . 39.4 mttt 48.68 44.45 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.8 mt -84.57 153.72 61.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.419 ' HD3' HG22 ' A' ' 126' ' ' ILE . 72.1 Cg_exo -46.68 139.82 13.21 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.72 128.33 36.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.438 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 48.32 52.72 13.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 p -81.7 151.68 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.3 p -97.92 132.31 43.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' THR . 73.5 mt-10 -45.57 -46.98 14.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' GLU . 23.0 m -35.55 -40.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.686 ' OE1' HD22 ' A' ' 121' ' ' LEU . 38.6 mt-10 -60.86 -64.92 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.4 t -51.84 -41.19 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.437 ' HA ' HG21 ' A' ' 85' ' ' VAL . 71.8 mt -61.07 -54.51 34.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.33 -21.01 21.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.433 HD11 HD21 ' A' ' 121' ' ' LEU . 52.9 mt -89.04 -18.14 27.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.31 -5.48 55.88 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.0 mt -78.84 -41.86 1.74 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 63.8 Cg_exo -47.92 -29.23 11.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.64 2.227 . . . . 0.0 112.371 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -90.72 -45.42 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.32 -92.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.449 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.522 ' HA ' HD23 ' A' ' 80' ' ' LEU . 13.1 ttmm -166.94 155.07 9.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.607 ' CG1' HD11 ' A' ' 99' ' ' LEU . 96.9 t -105.74 98.53 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.3 p -80.8 -42.31 21.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -128.95 138.05 51.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.8 tt -142.86 138.23 27.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.7 tp -131.71 108.04 9.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.1 tpp -110.89 121.44 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.8 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.1 p30 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.756 0.312 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -136.54 153.13 51.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -162.9 146.42 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -120.34 132.19 55.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.607 HD11 ' CG1' ' A' ' 85' ' ' VAL . 11.8 tp -121.75 136.4 54.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.468 ' HB2' HG22 ' A' ' 60' ' ' VAL . 35.1 tt0 -121.09 114.51 21.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 102' ' ' ALA . 6.9 mp -80.93 158.3 25.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.27 -52.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.8 p -136.63 171.48 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.074 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 107' ' ' ALA . 11.6 pt-20 -64.51 -50.73 66.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 104' ' ' GLU . 10.2 tm-20 -35.65 -48.21 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.72 -44.07 91.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 104' ' ' GLU . . . -58.67 -49.03 79.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 69.6 mt -54.5 -61.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.176 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 60.2 m -54.34 -41.94 69.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.173 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 17.2 ttt -49.0 -50.73 34.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.452 HG21 ' CE1' ' A' ' 130' ' ' TYR . 61.8 t -67.32 -39.48 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -55.78 -50.97 69.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -54.09 -38.98 65.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.457 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 18.6 m-85 -75.34 -36.43 61.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.7 m -38.88 -42.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.19 -42.2 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.08 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 78.3 t -87.59 127.02 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.482 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 13.7 m -100.1 106.47 41.79 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.591 0.71 . . . . 0.0 111.186 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.457 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.2 Cg_endo -77.27 158.1 33.36 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' A' ' 118' ' ' THR . 20.6 m80 -151.66 119.96 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.827 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.686 HD22 ' OE1' ' A' ' 74' ' ' GLU . 21.7 mt -99.76 139.03 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 44.08 46.36 7.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 t30 59.73 45.05 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.435 ' CD ' ' HD2' ' A' ' 125' ' ' PRO . 10.5 tp60 -155.41 138.46 10.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.564 0.697 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.435 ' HD2' ' CD ' ' A' ' 124' ' ' GLN . 61.0 Cg_endo -74.56 143.45 30.66 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.631 HD12 HD11 ' A' ' 128' ' ' ILE . 17.2 pt -113.38 154.18 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.522 ' CZ ' ' HD2' ' A' ' 65' ' ' LYS . 3.6 m-30 -107.32 111.17 23.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.631 HD11 HD12 ' A' ' 126' ' ' ILE . 58.7 mt -125.8 147.02 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.452 ' OE1' ' NH2' ' A' ' 64' ' ' ARG . 10.3 pt20 -171.49 -177.94 2.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.452 ' CE1' HG21 ' A' ' 111' ' ' VAL . 6.4 m-85 -70.49 148.12 48.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.814 -179.849 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.1 m -62.8 121.09 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.919 0.39 . . . . 0.0 110.859 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.6 p -123.51 116.22 22.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.54 -165.5 1.01 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.503 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.0 t -170.63 129.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 0.0 110.811 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -115.12 113.02 23.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.58 148.07 19.69 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.529 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -40.18 -54.08 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? 60.99 41.76 13.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.7 ttt -94.2 92.39 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -95.86 105.52 17.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.36 -60.57 0.1 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -119.2 73.71 13.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.578 0.704 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.8 155.95 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.4 t -119.8 131.66 55.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -62.36 -34.23 76.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.0 t -83.56 135.98 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.59 HD21 ' HB1' ' A' ' 107' ' ' ALA . 33.0 mt -117.55 136.7 53.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.023 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.572 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 10.7 t-160 -93.3 144.01 25.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.833 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.582 HG23 ' O ' ' A' ' 127' ' ' TYR . 73.1 mt -135.0 132.75 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.572 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -127.15 171.86 11.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 127' ' ' TYR . 6.6 mtpm? 56.1 48.71 17.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.779 HD11 ' HB3' ' A' ' 97' ' ' ALA . 47.8 mt -81.94 143.27 49.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.09 132.59 18.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.277 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.24 115.05 4.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.44 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 69.53 42.42 1.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 p -73.93 143.79 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 72' ' ' GLU . 77.0 p -96.39 135.08 38.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.938 ' OE1' HD11 ' A' ' 76' ' ' ILE . 9.9 tt0 -36.45 -52.64 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' GLU . 23.6 m -35.44 -52.94 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.76 -57.99 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.26 -24.4 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.938 HD11 ' OE1' ' A' ' 72' ' ' GLU . 90.9 mt -78.62 -36.51 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.12 63.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.588 HD11 HD21 ' A' ' 121' ' ' LEU . 83.5 mt -87.29 -9.78 54.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.437 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -108.61 -23.05 6.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.517 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.645 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 26.4 mt -58.62 -42.07 92.4 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.634 0.73 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 63.8 Cg_exo -47.94 -55.22 4.2 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.638 2.225 . . . . 0.0 112.362 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.532 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 21.7 m-85 -72.58 -50.94 22.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -162.91 -171.25 28.9 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -90.81 140.46 29.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.6 t -87.84 109.45 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 p -88.65 -28.31 20.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.702 ' HB3' HD13 ' A' ' 136' ' ' LEU . 76.9 m-20 -146.35 139.25 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.853 HD13 ' HG3' ' A' ' 72' ' ' GLU . 6.6 tt -143.56 139.98 26.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp -127.76 112.88 15.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.401 ' HE2' ' HB2' ' A' ' 90' ' ' MET . 16.0 tpp -112.25 105.38 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.3 mt -90.68 125.89 35.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -94.89 83.74 4.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.19 -62.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.561 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' C ' ' CG ' ' A' ' 95' ' ' ASN . 20.1 tptt -105.58 26.33 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.429 ' CG ' ' C ' ' A' ' 94' ' ' LYS . 1.0 OUTLIER 46.98 52.02 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -127.52 157.18 40.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.779 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -165.67 149.52 8.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -118.29 129.07 55.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.7 tp -110.12 148.88 30.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.543 ' HB2' HD12 ' A' ' 136' ' ' LEU . 2.9 tp10 -136.62 117.22 13.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.562 HD23 ' HB1' ' A' ' 106' ' ' ALA . 8.2 mp -87.11 156.74 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.69 -55.71 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.5 p -125.11 164.98 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.29 -41.87 89.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -45.6 -46.15 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.562 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -58.11 -29.73 65.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.59 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -74.74 -60.86 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 90.9 mt -41.66 -47.79 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 63.6 m -68.62 -38.7 80.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.532 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 12.1 ttt -55.21 -66.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.8 HG21 ' CE1' ' A' ' 130' ' ' TYR . 84.8 t -40.75 -59.25 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 115' ' ' SER . 2.6 m120 -37.6 -60.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -40.17 -43.37 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.556 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 29.4 m-85 -80.84 -31.15 35.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 112' ' ' ASN . 9.4 t -44.95 -33.03 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.74 -36.17 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.0 t -96.74 132.32 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.7 m -102.14 104.93 39.75 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.556 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.5 Cg_endo -76.49 164.4 30.68 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.607 2.205 . . . . 0.0 112.385 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -150.95 125.2 9.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.754 HD12 HG21 ' A' ' 126' ' ' ILE . 27.1 mt -104.63 130.85 52.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 55.4 44.1 27.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.807 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 17.2 m120 62.25 30.57 17.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 121' ' ' LEU . 67.0 mt-30 -139.06 148.53 57.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.48 142.27 26.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.242 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.754 HG21 HD12 ' A' ' 121' ' ' LEU . 27.1 pt -119.71 149.36 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.582 ' O ' HG23 ' A' ' 63' ' ' ILE . 10.6 m-30 -100.45 135.78 41.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.524 HD13 ' CE2' ' A' ' 114' ' ' TYR . 68.9 mt -142.69 121.72 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.147 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -155.63 171.24 20.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.8 ' CE1' HG21 ' A' ' 111' ' ' VAL . 4.4 m-85 -67.56 172.02 5.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.949 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 53.6 m -121.04 156.12 32.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -82.59 -40.61 20.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -69.83 121.01 16.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -52.76 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -103.15 151.28 22.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.953 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.702 HD13 ' HB3' ' A' ' 87' ' ' ASN . 6.5 tt -70.98 89.64 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -46.25 112.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.808 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.8 t -134.36 -40.72 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.5 t -144.7 151.85 39.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 169.48 144.04 4.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.414 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -79.42 127.58 7.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.309 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.6 t -62.16 -41.8 98.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 41.5 t -134.98 -42.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.2 p -143.52 162.9 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 t -141.74 140.55 33.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.59 103.06 1.2 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 92.6 p -131.41 43.16 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.5 p -91.99 149.81 21.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.44 -159.02 30.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.417 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.33 136.62 48.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -119.74 88.94 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.7 mtp -57.78 -53.07 62.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -54.54 -62.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.43 ' C ' ' HD3' ' A' ' 57' ' ' PRO . . . 75.0 78.08 0.65 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.431 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.29 63.75 9.87 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.569 0.699 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HD3' ' C ' ' A' ' 55' ' ' GLY . 61.8 Cg_endo -76.15 160.92 35.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.306 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.3 t -118.56 140.92 49.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.3 ptt-85 -64.78 -13.27 54.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.5 t -108.52 149.25 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.495 HD21 ' HB1' ' A' ' 107' ' ' ALA . 36.3 mt -123.17 139.58 53.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.497 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 7.2 t-80 -99.82 119.4 38.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.784 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.405 HG21 HD21 ' A' ' 66' ' ' LEU . 67.9 mt -114.94 144.2 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.497 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -138.16 173.68 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mttt 57.66 51.19 9.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 97' ' ' ALA . 56.3 mt -85.95 142.97 36.9 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.582 0.706 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -47.02 149.78 3.2 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.667 2.245 . . . . 0.0 112.297 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.91 142.06 47.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.418 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 42.25 45.66 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.2 p -84.88 142.57 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.049 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 72' ' ' GLU . 37.6 p -98.66 135.0 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 71' ' ' THR . 10.8 mt-10 -35.69 -39.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -37.73 -46.42 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -54.3 -67.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.3 t -51.58 -42.35 29.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 85.0 mt -57.62 -54.3 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.6 -20.36 55.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.468 HD11 HD21 ' A' ' 121' ' ' LEU . 72.3 mt -89.71 -11.73 41.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.34 -14.46 13.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.562 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.8 mt -69.56 -41.81 17.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.637 0.732 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.9 Cg_exo -47.94 -37.69 29.83 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.466 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 51.1 m-85 -81.52 -50.87 8.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.27 -124.11 0.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.529 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -134.55 142.0 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.788 0.328 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.2 t -95.88 106.87 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.7 p -97.57 -40.45 8.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -128.47 129.24 45.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.8 tt -141.01 152.09 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.5 tp -144.64 119.08 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 16.1 ttm -120.98 135.13 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 96' ' ' GLN . 15.9 mt -89.61 131.02 35.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -85.42 -36.15 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.55 -0.74 78.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.539 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -132.9 -179.29 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.28 36.25 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.458 ' HB2' HD12 ' A' ' 91' ' ' LEU . 45.3 mt-30 -125.07 161.64 26.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.515 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -165.96 131.58 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -99.35 138.68 36.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.2 tp -118.63 152.53 35.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -144.07 107.32 4.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.1 mp -83.08 167.2 18.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.0 -52.29 3.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.7 p -138.3 143.41 39.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -48.97 -34.73 13.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -39.03 -51.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.61 -45.06 80.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.495 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -47.72 -43.83 27.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.6 -48.2 89.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 42.0 m -64.43 -34.06 77.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.466 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 15.5 ttt -60.06 -51.95 67.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 130' ' ' TYR . 38.8 t -61.04 -45.4 98.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -51.44 -53.85 32.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -51.33 -40.78 59.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.562 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 17.2 m-85 -76.72 -26.76 55.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.9 m -52.92 -34.55 55.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.85 -43.38 6.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.1 t -94.54 131.59 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.4 m -101.21 105.12 37.43 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.543 0.687 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.562 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.4 Cg_endo -76.25 162.75 33.54 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.405 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -152.12 126.11 9.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.795 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.484 HD12 HG21 ' A' ' 126' ' ' ILE . 32.6 mt -101.6 143.33 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 40.12 46.49 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 59.34 49.59 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 125' ' ' PRO . 10.4 tt0 -160.03 141.74 9.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.553 0.692 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 124' ' ' GLN . 60.1 Cg_endo -74.18 148.98 40.1 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.666 2.244 . . . . 0.0 112.305 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.484 HG21 HD12 ' A' ' 121' ' ' LEU . 43.5 pt -121.39 153.93 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 64' ' ' ARG . 5.7 m-30 -101.53 126.41 48.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 38.4 mt -131.57 126.88 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -157.79 156.68 31.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.599 ' CE1' HG21 ' A' ' 111' ' ' VAL . 5.6 m-85 -58.12 131.99 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.8 p -67.81 138.37 56.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -122.28 -18.55 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -142.69 174.63 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.76 25.48 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -45.95 133.74 8.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.77 -46.76 89.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -87.79 -59.86 2.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 138' ' ' THR . 9.3 m 70.49 44.34 0.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.6 t -120.17 153.39 36.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 117.07 83.76 1.0 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.412 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.16 131.23 11.72 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.5 m -88.76 130.18 35.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 11.0 t -120.66 161.3 21.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.449 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.2 p 38.61 43.33 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 0.0 110.891 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.2 p -76.44 178.15 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.83 64.83 1.35 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.522 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.0 p -65.3 172.27 3.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.1 t -107.01 87.36 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.92 108.38 0.62 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.96 104.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.876 0.37 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.477 ' N ' ' HE3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -50.87 179.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 55' ' ' GLY . 5.7 ttt -157.95 122.79 4.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.5 81.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 53' ' ' MET . . . -75.88 -114.63 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -130.05 77.36 76.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.616 0.722 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.627 ' CB ' HD11 ' A' ' 108' ' ' ILE . 71.1 Cg_exo -45.65 137.3 12.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.625 2.217 . . . . 0.0 112.321 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 m -87.39 119.2 27.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -57.35 -48.97 77.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.419 ' CG2' ' OE1' ' A' ' 100' ' ' GLU . 83.8 t -87.49 122.6 39.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.668 HD21 ' HB1' ' A' ' 107' ' ' ALA . 41.0 mt -94.9 146.13 24.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.627 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 9.4 t-160 -98.33 128.42 44.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.679 HG23 ' O ' ' A' ' 127' ' ' TYR . 73.3 mt -125.99 134.59 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.627 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -130.23 -177.64 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 16.5 mmtp 53.62 50.87 16.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.504 HD11 ' CB ' ' A' ' 97' ' ' ALA . 48.2 mt -82.35 141.36 45.82 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.569 0.7 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.408 ' HD3' HG22 ' A' ' 126' ' ' ILE . 73.4 Cg_exo -47.44 161.58 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.63 108.46 2.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 73.8 46.55 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.93 0.395 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 p -84.06 150.16 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.1 p -98.61 161.11 13.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.99 -42.18 81.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.459 ' HA ' HD12 ' A' ' 76' ' ' ILE . 71.9 m -43.34 -36.42 1.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.199 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.792 ' OE1' HD22 ' A' ' 121' ' ' LEU . 36.8 mt-10 -62.23 -62.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.5 t -54.66 -39.94 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 73' ' ' THR . 35.3 mt -62.29 -51.28 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.86 -16.47 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 80.7 mt -93.11 -20.0 20.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -103.83 -10.5 34.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.426 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 23.8 mt -71.13 -41.83 11.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.729 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.3 Cg_exo -48.1 -31.16 15.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.604 2.203 . . . . 0.0 112.382 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.456 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 59.7 m-85 -96.94 -46.48 6.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.73 158.03 29.53 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' A' ' 85' ' ' VAL . 5.7 tmtt? -66.44 142.83 57.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.441 ' N ' ' HD3' ' A' ' 84' ' ' LYS . 79.3 t -93.87 109.26 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.1 p -86.82 -44.99 11.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.682 ' HB3' HD23 ' A' ' 136' ' ' LEU . 65.9 m-80 -131.0 137.49 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.9 tt -142.03 141.11 29.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.4 tp -133.85 121.14 21.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.9 ttm -120.75 113.99 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.559 HD12 ' HB2' ' A' ' 96' ' ' GLN . 38.4 mt -77.09 120.42 22.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -49.89 51.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.97 -47.99 35.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HE2' ' N ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -87.59 150.07 23.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.87 42.36 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.559 ' HB2' HD12 ' A' ' 91' ' ' LEU . 88.1 mt-30 -127.56 153.33 46.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.504 ' CB ' HD11 ' A' ' 66' ' ' LEU . . . -151.05 132.58 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -103.61 121.05 42.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.0 tp -109.16 143.68 38.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.419 ' OE1' ' CG2' ' A' ' 60' ' ' VAL . 28.8 tt0 -131.33 130.86 43.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 101' ' ' LEU . 6.5 mp -106.92 167.95 9.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.59 -56.29 14.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.9 p -113.38 162.95 15.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -74.61 -23.05 58.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 108' ' ' ILE . 33.7 mm-40 -67.66 -41.45 83.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.2 -32.89 64.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.668 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -76.02 -41.01 52.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.627 HD11 ' CB ' ' A' ' 57' ' ' PRO . 65.2 mt -58.13 -65.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.3 m -52.63 -34.89 53.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.456 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 13.5 ttt -62.1 -48.57 79.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 107' ' ' ALA . 99.7 t -63.58 -36.4 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.109 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.16 -55.53 24.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -45.51 -36.52 4.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.422 ' CE1' ' HG3' ' A' ' 119' ' ' PRO . 12.0 m-85 -85.13 -37.33 20.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 65.1 m -39.27 -32.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.33 -39.61 6.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 76.2 t -92.33 132.16 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.4 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 13.9 m -103.53 102.44 29.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.728 . . . . 0.0 111.187 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.487 ' C ' ' CG ' ' A' ' 120' ' ' HIS . 62.4 Cg_endo -78.33 174.06 12.94 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.487 ' CG ' ' C ' ' A' ' 119' ' ' PRO . 13.0 m-70 -160.17 120.64 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.792 HD22 ' OE1' ' A' ' 74' ' ' GLU . 27.5 mt -101.13 137.4 39.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? 49.06 42.41 20.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 62.0 40.68 12.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -150.16 144.77 17.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.82 144.1 24.16 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.591 HG21 HD12 ' A' ' 121' ' ' LEU . 22.1 pt -118.88 154.38 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.679 ' O ' HG23 ' A' ' 63' ' ' ILE . 4.0 m-30 -105.16 130.92 53.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 62.5 mt -135.7 126.71 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -164.3 -179.67 6.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -72.73 157.3 37.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 t -114.53 -27.29 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 59.29 41.82 19.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' A' ' 134' ' ' LYS . 21.1 m80 -123.39 -30.6 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 133' ' ' HIS . 0.0 OUTLIER 30.39 41.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 133' ' ' HIS . 9.5 tp10 -171.52 132.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.682 HD23 ' HB3' ' A' ' 87' ' ' ASN . 44.1 tp -128.84 153.89 46.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -51.73 173.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.955 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.541 ' O ' HG22 ' A' ' 138' ' ' THR . 21.1 m 67.08 44.71 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 140' ' ' GLY . 2.1 t 43.38 39.99 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 139' ' ' SER . . . -34.07 97.22 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.441 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 139' ' ' SER . 70.9 Cg_exo -45.83 167.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.642 2.228 . . . . 0.0 112.38 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.7 m -161.17 163.03 31.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 15.0 t -142.34 114.15 8.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.3 p -44.65 139.55 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 110.839 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.5 m -114.53 105.57 13.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.18 80.65 1.37 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.1 p -104.99 137.95 41.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.4 m -88.69 145.26 25.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.27 95.54 1.18 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -135.28 143.65 46.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt 53.26 42.25 32.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.5 tpt -122.88 102.17 7.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.51 149.66 2.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.17 -92.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.79 73.0 72.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.548 0.689 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.02 -176.45 3.2 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.662 2.242 . . . . 0.0 112.324 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.8 m -129.0 163.53 25.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -95.14 -25.52 16.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.3 t -92.57 125.42 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.644 HD21 ' HB1' ' A' ' 107' ' ' ALA . 45.9 mt -103.64 139.49 38.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.531 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 22.3 t60 -99.36 121.82 41.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 127' ' ' TYR . 25.2 mt -118.36 142.77 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.531 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -141.53 173.36 11.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.534 ' HD3' ' CE1' ' A' ' 127' ' ' TYR . 11.5 mtpt 61.44 42.31 11.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt -76.86 143.57 71.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.612 0.72 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.87 160.24 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.33 128.21 8.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.444 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 57.76 45.12 19.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.6 148.29 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.3 p -98.08 133.76 42.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -41.98 -45.58 3.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 m -38.61 -41.95 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.672 ' OE1' HD22 ' A' ' 121' ' ' LEU . 35.9 mt-10 -56.26 -57.65 11.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.9 t -60.77 -45.5 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.38 -62.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.447 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -56.4 -17.29 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.709 HD11 HD21 ' A' ' 121' ' ' LEU . 33.5 mt -89.77 -20.19 23.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.3 0.77 35.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.453 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.1 mt -78.84 -41.86 1.74 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 67.2 Cg_exo -48.04 -29.34 11.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.291 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.519 ' CZ ' ' HA ' ' A' ' 110' ' ' MET . 55.9 m-85 -92.58 -49.99 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -162.08 172.33 38.19 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.92 132.61 37.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 23.7 t -80.83 127.57 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.0 p -114.84 -42.19 3.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -128.75 126.83 40.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.41 HD12 ' CD1' ' A' ' 99' ' ' LEU . 13.3 tt -141.56 144.16 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 tp -135.67 107.09 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.449 ' HA ' ' CB ' ' A' ' 97' ' ' ALA . 31.7 ttm -111.2 128.17 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.612 HD12 ' HG3' ' A' ' 96' ' ' GLN . 45.5 mt -88.41 117.23 27.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -65.04 -51.99 58.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.33 26.6 3.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -153.03 164.09 38.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 0.0 110.894 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -106.67 49.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.612 ' HG3' HD12 ' A' ' 91' ' ' LEU . 1.8 pt20 -151.09 151.45 32.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.449 ' CB ' ' HA ' ' A' ' 90' ' ' MET . . . -158.15 145.43 18.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -106.48 124.35 49.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.41 ' CD1' HD12 ' A' ' 88' ' ' ILE . 15.9 tp -109.05 141.08 41.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -130.14 105.89 8.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 101' ' ' LEU . 6.8 mp -75.37 162.56 28.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -36.33 -59.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.8 p -129.59 163.65 25.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -64.5 -22.78 67.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -58.28 -37.6 75.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.92 -40.18 54.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.644 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -62.01 -50.38 72.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 97.2 mt -51.66 -50.73 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.1 m -60.79 -44.89 96.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.519 ' HA ' ' CZ ' ' A' ' 82' ' ' PHE . 11.5 ttt -47.43 -61.74 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.7 t -56.39 -39.07 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 115' ' ' SER . 26.0 m120 -58.83 -57.29 13.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -43.64 -45.41 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.42 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 34.9 m-85 -71.44 -27.61 63.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 112' ' ' ASN . 6.0 t -38.73 -31.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -110.4 -37.59 5.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.5 t -93.14 134.73 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.616 HG22 ' CE1' ' A' ' 120' ' ' HIS . 11.4 m -100.99 107.64 50.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.71 . . . . 0.0 111.057 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.42 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.6 Cg_endo -77.28 144.95 23.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.616 ' CE1' HG22 ' A' ' 118' ' ' THR . 30.6 m-70 -145.24 121.95 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.709 HD21 HD11 ' A' ' 78' ' ' LEU . 22.3 mt -101.51 136.27 41.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 54.99 30.45 14.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 45.7 t30 73.08 35.17 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -145.8 144.56 22.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.9 147.3 30.51 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.619 2.212 . . . . 0.0 112.356 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 13.4 pt -115.99 157.39 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.534 ' CE1' ' HD3' ' A' ' 65' ' ' LYS . 4.7 m-30 -101.49 130.16 47.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.1 mt -135.17 133.87 52.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 33.4 tp60 -165.27 146.3 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.404 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 3.2 m-85 -53.41 165.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.11 140.75 52.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -122.73 -31.45 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 134' ' ' LYS . 26.5 m-70 -117.05 -175.03 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 133' ' ' HIS . 30.0 mttm 34.4 36.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 133' ' ' HIS . 13.3 pt-20 -68.33 154.59 41.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 136' ' ' LEU . 4.1 mm? -69.33 93.49 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -127.94 152.64 47.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 38.0 p -119.03 -49.16 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.0 m -68.22 -52.55 32.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 137.92 -159.66 25.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -45.63 161.12 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.296 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.9 m -131.14 147.4 52.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.792 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.9 m -166.3 145.18 5.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.5 m -103.75 172.53 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.5 p -147.34 177.0 9.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.67 97.36 0.19 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.2 p -153.56 145.12 23.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.9 0.381 . . . . 0.0 110.821 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.0 m -147.59 153.39 39.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.78 107.49 0.89 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.6 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -58.99 176.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -105.81 95.72 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -152.77 168.23 26.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -133.86 118.34 17.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -100.77 -100.92 2.42 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.63 71.11 58.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.542 0.687 . . . . 0.0 111.089 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -46.06 153.04 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.5 t -124.53 152.04 43.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -76.11 -30.48 58.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.661 HG22 ' HB2' ' A' ' 100' ' ' GLU . 43.1 t -95.05 137.29 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.9 mt -114.91 143.37 45.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.461 ' CD2' HH11 ' A' ' 64' ' ' ARG . 74.9 t60 -103.16 136.67 42.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.822 HG23 ' O ' ' A' ' 127' ' ' TYR . 16.0 mt -128.16 140.42 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.061 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.461 HH11 ' CD2' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -130.28 177.27 7.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.532 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 29.9 mmtm 57.82 41.88 24.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 86.6 mt -70.3 141.32 88.46 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.634 0.731 . . . . 0.0 110.946 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.5 148.31 5.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.2 113.25 5.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 66.42 47.14 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 p -81.61 148.73 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.2 p -103.59 145.14 30.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -46.51 -46.7 19.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 92.4 m -41.5 -36.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.96 -67.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.0 t -53.91 -39.64 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.403 HG23 HG21 ' A' ' 85' ' ' VAL . 93.6 mt -60.94 -53.25 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -57.03 -15.67 5.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.944 HD11 HD21 ' A' ' 121' ' ' LEU . 38.4 mt -94.78 -17.86 21.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.88 -4.45 48.41 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.476 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.1 mt -76.56 -41.78 2.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.3 Cg_exo -47.99 -36.37 27.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.27 . . . . 0.0 112.364 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.556 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 48.9 m-85 -82.03 -50.78 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -157.39 -147.94 4.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -112.96 137.5 51.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.403 HG21 HG23 ' A' ' 76' ' ' ILE . 84.7 t -80.68 125.04 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.158 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.3 p -106.6 -32.95 7.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.446 ' HB3' HD13 ' A' ' 136' ' ' LEU . 74.7 m-20 -152.14 133.17 14.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.422 HG12 ' N ' ' A' ' 89' ' ' LEU . 9.3 tt -137.32 151.96 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.422 ' N ' HG12 ' A' ' 88' ' ' ILE . 52.9 tp -136.78 121.07 18.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 37.2 tpp -115.13 106.28 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.2 mt -88.55 94.06 9.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -70.55 75.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -170.25 -67.96 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -93.59 27.63 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.16 46.4 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -129.15 148.64 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.1 161.08 43.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -131.68 125.21 31.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.9 tp -109.41 143.84 38.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.661 ' HB2' HG22 ' A' ' 60' ' ' VAL . 15.5 tt0 -132.97 115.42 15.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.488 HD23 ' HB1' ' A' ' 106' ' ' ALA . 7.4 mp -87.03 155.07 20.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.84 -49.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.8 p -133.66 155.76 49.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -63.02 -17.87 62.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.85 -49.44 76.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.488 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -65.28 -24.52 67.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.46 -56.82 4.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.1 mt -50.06 -49.14 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.3 m -59.91 -46.35 89.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.556 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 9.0 ttt -46.03 -60.79 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.2 t -55.47 -46.6 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -48.23 -49.42 33.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -57.62 -28.7 63.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 17.3 m-85 -83.64 -31.35 26.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.5 t -41.29 -38.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.39 -43.14 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 86.1 t -85.87 134.01 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.543 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 18.6 m -102.93 105.74 46.9 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.608 0.718 . . . . 0.0 111.13 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.55 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.2 Cg_endo -78.41 147.71 23.0 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' A' ' 118' ' ' THR . 1.9 m80 -141.88 115.91 9.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.944 HD21 HD11 ' A' ' 78' ' ' LEU . 25.5 mt -90.29 146.04 24.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 11.3 mmm-85 43.38 39.86 2.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 62.8 48.29 4.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -165.51 133.51 2.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.744 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.8 165.93 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.632 HG21 HD12 ' A' ' 121' ' ' LEU . 49.1 pt -144.41 153.7 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.822 ' O ' HG23 ' A' ' 63' ' ' ILE . 11.0 m-30 -97.72 124.8 42.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.524 HD11 ' CD1' ' A' ' 126' ' ' ILE . 60.8 mt -133.92 126.49 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -161.38 179.14 8.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -78.14 147.7 34.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.1 p -76.56 150.87 36.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -77.25 -41.8 39.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -79.51 140.38 37.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -50.12 69.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -105.14 147.99 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.446 HD13 ' HB3' ' A' ' 87' ' ' ASN . 3.3 tt -56.42 -64.19 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -73.36 104.48 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 26.4 m -57.22 134.59 56.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 72.4 p -90.98 119.46 31.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.46 -146.28 10.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.549 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.54 132.45 12.79 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.7 2.267 . . . . 0.0 112.349 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 75.5 m -106.06 164.12 12.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 61.8 p -172.48 171.97 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.437 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 t -112.27 145.41 40.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.826 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 m -89.39 -56.72 3.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.19 -115.4 7.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -158.55 114.6 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -137.71 139.42 40.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.46 44.87 0.19 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -146.02 143.34 29.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -148.54 161.6 41.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.4 mtt -148.56 154.47 39.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -134.02 124.3 26.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.407 ' C ' ' HD3' ' A' ' 57' ' ' PRO . . . -163.11 -96.89 0.11 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.553 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -114.14 76.11 3.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.513 0.673 . . . . 0.0 111.07 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.407 ' HD3' ' C ' ' A' ' 55' ' ' GLY . 71.6 Cg_exo -45.23 101.93 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.9 t -70.35 155.34 40.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -87.18 32.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.452 ' O ' HD23 ' A' ' 61' ' ' LEU . 59.6 t -136.49 146.44 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 60' ' ' VAL . 72.3 mt -129.02 119.59 24.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.615 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 9.6 t-80 -92.74 137.21 32.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 127' ' ' TYR . 38.1 mt -129.91 138.84 53.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.615 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -125.04 -176.49 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 44.1 mmtm 48.42 46.21 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.571 HD11 ' CB ' ' A' ' 97' ' ' ALA . 76.4 mt -68.5 140.0 92.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.72 142.57 14.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.5 120.77 17.69 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 57.54 54.58 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 71' ' ' THR . 9.7 p -89.94 158.48 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.422 ' N ' HG22 ' A' ' 70' ' ' VAL . 57.9 p -116.32 146.11 42.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.137 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -47.03 -39.24 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 86.6 m -45.15 -31.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.95 -59.83 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.2 t -59.14 -32.28 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 74.0 mt -71.04 -59.57 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.85 -15.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.539 HD11 HD21 ' A' ' 121' ' ' LEU . 48.5 mt -97.97 -23.45 15.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -95.11 -14.72 47.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.634 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.7 mt -68.58 -41.86 24.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.4 Cg_exo -47.98 -36.12 26.79 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.701 2.267 . . . . 0.0 112.311 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 93.2 m-85 -90.81 -50.31 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.11 172.91 36.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 43.6 tptt -76.04 148.8 37.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 0.0 110.849 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.63 HG22 HD11 ' A' ' 99' ' ' LEU . 73.7 t -96.11 116.67 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.8 p -99.11 -44.88 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -127.91 137.17 52.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.7 tt -143.66 144.17 23.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.1 tp -132.78 112.37 11.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 38.6 tpp -114.18 115.85 28.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' ' 96' ' ' GLN . 35.4 mt -84.04 127.43 33.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 92' ' ' LYS . 10.7 mptt -69.91 -55.99 8.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.94 -91.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.538 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -58.02 152.97 15.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -86.63 69.16 10.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.477 ' HB2' HD12 ' A' ' 91' ' ' LEU . 37.8 mt-30 -142.32 146.48 35.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.571 ' CB ' HD11 ' A' ' 66' ' ' LEU . . . -153.62 139.12 17.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 134' ' ' LYS . 90.3 m-85 -109.92 126.11 53.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.63 HD11 HG22 ' A' ' 85' ' ' VAL . 39.1 tp -111.18 150.09 30.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -138.53 131.41 29.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.522 HD23 ' HB1' ' A' ' 106' ' ' ALA . 7.3 mp -101.76 157.63 16.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -37.08 -56.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.7 p -127.98 157.82 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -60.41 -31.43 70.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.01 -41.5 64.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.522 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -67.12 -46.78 73.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.442 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -60.32 -56.62 19.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.0 mt -43.25 -52.83 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.9 m -58.64 -44.66 90.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.468 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 19.3 ttt -51.64 -67.41 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.758 HG21 ' CE1' ' A' ' 130' ' ' TYR . 84.8 t -40.44 -60.11 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.8 m-80 -42.72 -61.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 112' ' ' ASN . 70.3 t80 -36.76 -35.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.517 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 43.1 m-85 -90.91 -34.52 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 112' ' ' ASN . 11.4 t -38.3 -38.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.81 -39.76 7.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.2 t -93.4 130.06 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.466 HG22 ' CE1' ' A' ' 120' ' ' HIS . 88.7 m -100.21 104.82 32.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.646 0.736 . . . . 0.0 111.174 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.517 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.4 Cg_endo -75.74 175.61 11.07 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.388 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 69.5 m80 -160.89 119.97 2.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.679 HD12 HG21 ' A' ' 126' ' ' ILE . 21.1 mt -100.79 133.32 45.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 46.9 43.17 13.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 62.53 42.76 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.434 ' CD ' ' HD2' ' A' ' 125' ' ' PRO . 13.7 tp60 -151.21 139.39 12.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.434 ' HD2' ' CD ' ' A' ' 124' ' ' GLN . 61.0 Cg_endo -75.16 145.85 31.41 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.679 HG21 HD12 ' A' ' 121' ' ' LEU . 45.7 pt -119.2 156.44 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.898 ' O ' HG23 ' A' ' 63' ' ' ILE . 9.3 m-30 -105.21 134.37 48.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.489 HD13 ' CD2' ' A' ' 114' ' ' TYR . 45.0 mt -134.6 121.22 34.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -153.44 160.83 42.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.758 ' CE1' HG21 ' A' ' 111' ' ' VAL . 2.9 m-85 -72.57 161.96 30.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 86.8 p -96.96 132.98 42.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -109.71 -48.55 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -114.56 -42.26 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 42.4 mmtt -80.77 50.12 1.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.54 132.37 34.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 17.8 mt -63.81 148.75 48.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -167.73 134.2 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.13 130.0 41.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 37.1 m -148.44 153.21 38.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 151.25 100.23 0.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.54 47.17 1.57 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.384 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 22.6 m 59.08 47.33 12.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 18.7 t -122.46 125.17 45.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.777 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t 54.93 42.24 31.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 110.872 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.1 t -117.52 -45.74 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.5 164.1 38.0 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.1 m -120.45 -47.85 2.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.364 . . . . 0.0 110.821 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.7 p -67.53 90.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -170.38 48.84 0.2 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -151.72 163.07 39.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -111.8 99.43 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.2 mmm -111.7 99.25 8.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -127.11 88.07 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.68 -76.35 0.44 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.502 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -125.18 81.39 63.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.602 0.715 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -48.68 -176.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.744 2.296 . . . . 0.0 112.296 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.2 t -163.13 143.87 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.1 ptt-85 -62.85 -33.16 74.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.5 HG21 HD23 ' A' ' 136' ' ' LEU . 38.8 t -90.47 133.26 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.1 mt -115.74 152.11 33.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.621 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 23.3 t60 -111.28 128.1 55.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 127' ' ' TYR . 11.1 mt -121.06 144.4 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.621 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -139.73 -179.7 6.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 1.5 mmmp? 60.6 27.28 16.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.9 mt -74.97 143.73 78.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.551 0.691 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -47.07 158.82 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.391 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.33 135.06 23.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 46.03 45.75 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.378 . . . . 0.0 110.93 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -78.67 146.6 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.1 p -86.74 158.96 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' GLU . 49.8 mt-10 -65.05 -48.4 73.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' GLU . 96.6 m -35.66 -33.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.787 ' OE2' HD22 ' A' ' 121' ' ' LEU . 4.0 mm-40 -65.74 -59.06 4.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.422 ' HA ' HD12 ' A' ' 78' ' ' LEU . 10.7 t -66.58 -26.2 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.631 HG22 ' CD1' ' A' ' 80' ' ' LEU . 81.9 mt -73.15 -49.44 38.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.1 -12.45 55.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.617 HD11 HD11 ' A' ' 121' ' ' LEU . 41.4 mt -91.66 -29.09 17.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.95 -9.82 47.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.644 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.7 mt -77.99 -41.74 2.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.973 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.2 Cg_exo -48.06 -30.29 13.86 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.626 2.217 . . . . 0.0 112.348 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.497 ' CE2' ' HG2' ' A' ' 110' ' ' MET . 73.0 m-85 -88.07 -48.98 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -151.03 -144.74 3.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 36.5 tptt -113.84 147.83 37.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.435 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 18.0 t -101.57 127.95 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.144 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.8 p -112.44 -39.1 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -139.82 139.51 36.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.1 tt -140.16 143.74 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.614 ' HB2' HD11 ' A' ' 136' ' ' LEU . 9.8 tp -125.64 115.85 20.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.469 ' HG2' ' CB ' ' A' ' 97' ' ' ALA . 20.7 mtp -124.08 123.93 41.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.913 HD12 ' HB2' ' A' ' 96' ' ' GLN . 31.2 mt -72.32 130.91 41.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -79.59 55.42 1.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.98 -80.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.538 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -56.9 147.83 22.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.15 66.12 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.913 ' HB2' HD12 ' A' ' 91' ' ' LEU . 31.5 mt-30 -149.17 141.9 24.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 90' ' ' MET . . . -163.37 136.85 5.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.599 ' CD1' HD23 ' A' ' 89' ' ' LEU . 21.7 m-85 -102.34 156.71 17.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.4 tp -128.8 142.35 51.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -131.82 109.99 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.15 168.82 10.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.18 -55.43 35.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 58.6 p -112.61 127.58 56.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.168 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -48.3 -34.77 11.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -47.09 -52.35 15.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.5 -49.85 63.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.92 49.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 96.2 mt -54.61 -49.42 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.9 m -58.52 -42.69 88.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.189 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.497 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -52.44 -53.79 40.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.843 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.7 t -59.34 -41.09 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -61.58 -57.42 12.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -49.18 -39.89 31.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -78.72 -21.38 48.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.4 t -46.35 -38.25 8.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.5 -42.16 9.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.5 t -94.1 123.45 46.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 33.4 m -100.0 104.79 31.16 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.603 0.716 . . . . 0.0 111.094 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.508 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 60.8 Cg_endo -74.55 174.87 11.87 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 20.0 m-70 -161.1 118.14 2.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.787 HD22 ' OE2' ' A' ' 74' ' ' GLU . 22.5 mt -101.16 143.54 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 58.47 28.62 17.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 39.0 t30 70.78 31.32 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -147.33 149.93 36.15 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.642 0.734 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.56 144.07 31.46 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.682 2.255 . . . . 0.0 112.361 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.7 pt -108.12 163.69 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.619 ' O ' HG23 ' A' ' 63' ' ' ILE . 7.4 m-30 -109.24 132.01 54.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.5 mt -131.14 132.35 63.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 3.2 tp-100 -163.34 150.17 12.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.45 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 21.0 m-85 -63.82 162.28 13.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.8 m -112.76 172.36 6.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -95.97 -64.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -121.79 -72.74 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.535 ' HG2' ' CD2' ' A' ' 98' ' ' PHE . 0.5 OUTLIER 38.95 47.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -61.96 87.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.614 HD11 ' HB2' ' A' ' 89' ' ' LEU . 4.4 mm? -45.36 -51.46 11.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -67.16 92.15 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.977 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 9.0 t -110.25 149.15 30.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.8 p -88.62 -60.41 1.97 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -60.36 149.48 42.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.04 40.99 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.384 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 t -71.85 159.01 35.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -73.51 103.56 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.2 p -123.82 99.71 6.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -47.46 141.26 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 170.76 59.66 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.422 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.1 m -146.77 156.81 43.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 m -52.49 148.88 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.11 74.59 0.88 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.515 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -106.0 42.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.952 0.406 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -89.22 147.14 24.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -166.91 141.14 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -86.05 -52.86 5.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.82 83.16 1.34 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -172.88 105.01 0.32 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.692 . . . . 0.0 111.085 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -47.35 166.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 m -130.12 148.52 51.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.417 ' CG ' ' HB2' ' A' ' 104' ' ' GLU . 58.9 mtp180 -77.93 -36.3 49.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 100' ' ' GLU . 94.1 t -84.71 142.22 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.628 HD21 ' HB1' ' A' ' 107' ' ' ALA . 47.6 mt -116.97 135.1 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.53 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 12.3 t-80 -93.87 126.97 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.4 mt -124.09 139.96 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.53 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -136.29 176.68 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm 60.76 39.68 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.628 HD11 ' HB3' ' A' ' 97' ' ' ALA . 60.4 mt -75.08 138.6 72.46 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.648 0.737 . . . . 0.0 110.937 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -48.01 170.38 0.06 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.73 2.287 . . . . 0.0 112.337 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.16 134.63 12.88 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 54.62 43.98 29.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 p -87.42 141.17 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 72' ' ' GLU . 62.5 p -97.65 132.14 43.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.103 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' THR . 13.7 mp0 -37.43 -37.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.806 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.3 m -37.89 -50.53 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.14 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.415 HG12 HD13 ' A' ' 99' ' ' LEU . 82.5 t -48.81 -27.48 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.187 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 80.4 mt -75.49 -57.03 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.85 -12.77 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.404 HD11 HD21 ' A' ' 121' ' ' LEU . 95.6 mt -91.23 -27.71 18.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -100.17 -6.11 53.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.543 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 27.8 mt -78.36 -41.89 1.96 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.85 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.1 Cg_exo -47.95 -26.12 7.07 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -97.03 -48.38 5.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.44 -138.95 3.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -128.14 135.51 49.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.9 t -88.66 124.28 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 p -107.92 -39.26 5.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -132.59 130.94 40.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.449 HG12 ' N ' ' A' ' 89' ' ' LEU . 2.9 tt -142.3 147.52 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.449 ' N ' HG12 ' A' ' 88' ' ' ILE . 12.0 tp -138.3 123.5 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.3 ttm -121.24 119.25 31.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 96' ' ' GLN . 74.4 mt -80.79 116.24 20.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -55.88 -42.05 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' LYS . . . -83.06 -106.67 0.49 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 93' ' ' GLY . 0.0 OUTLIER -36.69 140.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.908 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.33 78.36 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.494 ' HB2' HD12 ' A' ' 91' ' ' LEU . 98.4 mt-30 -154.2 145.54 22.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.628 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -153.05 134.59 14.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.592 ' HB2' HD21 ' A' ' 136' ' ' LEU . 3.1 m-85 -103.16 131.15 50.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.415 HD13 HG12 ' A' ' 75' ' ' VAL . 13.0 tp -116.71 148.19 41.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.439 ' HB2' HG22 ' A' ' 60' ' ' VAL . 3.8 tp10 -144.54 128.42 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 101' ' ' LEU . 5.6 mp -101.29 -177.12 3.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.22 95.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.7 p -126.36 178.41 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 107' ' ' ALA . 34.3 tt0 -91.42 -50.77 5.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 104' ' ' GLU . 43.1 mt-10 -35.04 -40.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.89 87.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.628 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -55.89 -60.35 3.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 81.4 mt -41.28 -38.75 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.6 m -75.76 -39.79 56.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.5 ttt -56.9 -46.32 82.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.4 t -67.42 -37.12 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -63.57 -48.56 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -51.22 -33.51 28.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -93.34 -25.15 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.0 t -45.47 -31.58 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.12 -32.93 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.1 t -98.53 134.22 38.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.461 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 25.5 m -102.55 103.82 34.33 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.545 0.688 . . . . 0.0 111.17 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.512 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 61.2 Cg_endo -75.31 172.54 16.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 57.8 m80 -160.6 115.78 2.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.555 HD12 HG21 ' A' ' 126' ' ' ILE . 31.5 mt -95.91 136.55 36.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 52.76 43.95 30.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 60.28 35.42 20.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 121' ' ' LEU . 44.9 mm-40 -149.01 149.2 29.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.547 0.689 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.29 157.66 49.61 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.391 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.555 HG21 HD12 ' A' ' 121' ' ' LEU . 48.8 pt -131.85 162.64 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -106.65 126.78 52.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 42.8 mt -130.76 124.43 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.476 ' CG ' ' N ' ' A' ' 130' ' ' TYR . 38.6 tt0 -162.11 168.41 22.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.476 ' N ' ' CG ' ' A' ' 129' ' ' GLN . 3.5 m-85 -62.85 165.77 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.2 t -126.22 122.0 34.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -45.49 -49.88 13.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -56.85 130.03 44.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -74.85 -52.82 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -128.41 124.92 37.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.592 HD21 ' HB2' ' A' ' 98' ' ' PHE . 11.4 mt -50.57 158.92 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -123.3 167.44 13.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 95.4 m -143.84 116.71 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.2 m -89.19 86.99 6.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -155.35 -173.02 23.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.57 97.82 0.03 OUTLIER 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.629 2.219 . . . . 0.0 112.364 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.4 t -122.72 168.81 11.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.792 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 28.2 t -153.34 136.62 15.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 m -64.42 126.14 26.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 t -129.42 127.45 40.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.74 -178.6 24.02 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.4 m -101.65 163.59 12.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 0.0 110.839 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -155.32 118.27 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.2 -172.94 34.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.435 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 2.5 p30 -148.22 160.92 42.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -53.88 118.15 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -112.8 86.67 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -99.65 125.52 45.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.802 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.436 ' C ' ' HD3' ' A' ' 57' ' ' PRO . . . -149.61 -112.61 0.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -117.56 72.56 7.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.611 0.72 . . . . 0.0 111.095 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.436 ' HD3' ' C ' ' A' ' 55' ' ' GLY . 70.9 Cg_exo -45.95 139.96 10.69 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.709 2.273 . . . . 0.0 112.314 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t -102.12 157.8 16.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -80.3 -45.23 18.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.631 HG22 ' HB2' ' A' ' 100' ' ' GLU . 58.4 t -82.98 144.89 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 mt -117.52 142.11 47.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.492 ' CD2' ' HD2' ' A' ' 64' ' ' ARG . 51.7 t60 -97.12 130.04 44.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.647 HG23 ' O ' ' A' ' 127' ' ' TYR . 15.2 mt -124.53 144.49 34.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.492 ' HD2' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -133.96 174.89 9.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 2.6 mmmp? 53.15 46.13 27.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 97' ' ' ALA . 29.9 mt -73.96 139.64 76.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.462 ' HG2' HD13 ' A' ' 121' ' ' LEU . 73.8 Cg_exo -47.7 153.33 2.36 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.715 2.277 . . . . 0.0 112.296 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.36 142.43 42.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 41.8 47.1 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 p -88.04 148.72 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.7 p -109.14 148.88 30.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -45.07 -42.53 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 91.8 m -38.2 -41.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.12 -60.18 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.6 t -56.42 -37.49 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.4 mt -68.24 -46.62 80.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.45 -23.41 38.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.5 mt -89.05 -18.67 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.1 -20.4 18.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.378 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.649 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 26.1 mt -63.76 -41.93 67.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.56 0.695 . . . . 0.0 110.834 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.2 Cg_exo -47.88 -48.43 16.16 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -74.79 -43.02 56.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.65 -120.05 0.53 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -144.45 144.99 31.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.3 t -89.94 114.05 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.424 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 44.4 p -93.71 -42.69 9.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.424 ' OD1' ' C ' ' A' ' 86' ' ' THR . 5.7 m-20 -134.41 130.32 36.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 tt -129.35 156.63 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.1 tp -144.52 111.0 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.974 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.6 tpp -110.26 118.31 35.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.8 mt -101.26 136.98 40.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -104.1 85.49 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.38 -69.45 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.48 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -103.77 26.8 8.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.73 0.3 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 51.46 42.54 29.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -115.69 148.52 39.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -155.16 142.71 19.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.479 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 65.4 m-85 -112.28 128.12 56.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 tp -113.08 145.4 40.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.631 ' HB2' HG22 ' A' ' 60' ' ' VAL . 36.9 tt0 -131.35 132.94 44.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.403 HD22 ' CB ' ' A' ' 106' ' ' ALA . 7.1 mp -101.3 162.99 12.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.52 -53.5 37.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.6 p -111.42 156.86 20.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.5 -22.8 56.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.2 -47.65 83.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.403 ' CB ' HD22 ' A' ' 101' ' ' LEU . . . -52.18 -40.0 60.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.99 -59.22 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.047 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.8 mt -49.39 -52.33 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.8 m -65.05 -35.26 80.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 23.1 ttt -57.44 -59.17 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.763 HG21 ' CE1' ' A' ' 130' ' ' TYR . 86.2 t -46.08 -61.91 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -41.28 -55.37 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -39.18 -36.12 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 115' ' ' SER . 29.2 m-85 -90.67 -36.63 14.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 114' ' ' TYR . 38.5 t -35.14 -38.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.31 -44.75 6.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 87.1 t -91.61 129.57 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.442 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 90.3 m -100.42 109.88 58.41 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.591 0.71 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.434 ' C ' ' CG ' ' A' ' 120' ' ' HIS . 59.8 Cg_endo -73.7 170.22 20.53 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.301 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 118' ' ' THR . 21.8 m-70 -157.13 114.23 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.855 HD12 HG21 ' A' ' 126' ' ' ILE . 23.4 mt -91.94 135.4 33.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 47.07 40.12 9.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 41.5 t30 64.67 43.44 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -153.13 146.26 17.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.85 144.53 27.64 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.855 HG21 HD12 ' A' ' 121' ' ' LEU . 37.5 pt -119.86 167.59 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.647 ' O ' HG23 ' A' ' 63' ' ' ILE . 16.5 m-30 -111.66 134.92 52.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 58.0 mt -137.37 139.19 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -170.93 152.8 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.763 ' CE1' HG21 ' A' ' 111' ' ' VAL . 7.4 m-85 -53.05 138.97 29.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 25.8 p -63.79 166.6 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -99.08 -45.54 5.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -72.88 129.35 37.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -47.12 -58.17 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -132.99 150.11 52.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.3 mt -49.26 -44.79 44.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -168.54 119.06 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 93.4 m -64.46 100.57 0.37 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 99.2 p -49.23 157.97 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 105.03 140.89 10.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.1 -15.56 12.88 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.69 2.26 . . . . 0.0 112.391 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 72.8 p -106.06 120.08 40.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.3 m -134.75 139.38 45.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -157.07 149.1 22.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.832 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 64.0 m -104.02 143.13 33.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.48 151.12 20.6 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 t -156.4 152.25 27.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -142.52 129.67 20.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.28 99.08 0.33 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -167.43 170.59 11.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.914 0.388 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -146.58 117.68 7.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 44.2 tpp -64.76 -58.23 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -84.41 162.33 20.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.55 60.21 0.67 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.44 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.12 75.89 22.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.699 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.417 ' CB ' HD11 ' A' ' 108' ' ' ILE . 71.4 Cg_exo -45.69 106.98 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.634 2.223 . . . . 0.0 112.387 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t -91.99 152.69 19.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -83.62 19.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.51 HG22 ' HB2' ' A' ' 100' ' ' GLU . 98.2 t -131.19 122.56 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.2 mt -110.82 131.82 54.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.498 ' CD2' ' HE ' ' A' ' 64' ' ' ARG . 82.7 t60 -90.28 144.84 25.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.774 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.814 HG23 ' O ' ' A' ' 127' ' ' TYR . 8.1 mt -140.13 135.16 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.498 ' HE ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -129.77 -175.99 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.439 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 27.1 mmtp 54.05 39.49 30.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.7 mt -68.36 141.09 93.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.72 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -47.78 161.85 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.5 118.94 8.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.439 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 60.15 45.28 11.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.449 HG22 ' N ' ' A' ' 71' ' ' THR . 9.8 p -77.21 158.29 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.449 ' N ' HG22 ' A' ' 70' ' ' VAL . 70.9 p -111.09 152.05 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -54.18 -42.33 69.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 93.5 m -42.39 -34.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.169 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.06 -65.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.514 HG12 HD13 ' A' ' 99' ' ' LEU . 93.1 t -55.27 -26.14 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 88.4 mt -77.2 -48.85 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.1 -17.15 61.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.479 HD11 HD21 ' A' ' 121' ' ' LEU . 87.0 mt -90.35 -15.79 30.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.25 -12.42 19.87 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.644 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 18.0 mt -70.65 -41.86 13.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.729 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.2 Cg_exo -47.93 -40.02 32.57 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.48 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 56.8 m-85 -82.51 -50.73 8.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.61 -125.5 1.57 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.89 130.8 20.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 55.9 t -79.02 113.61 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 p -99.36 -36.87 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -133.84 128.24 34.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.412 HG12 ' N ' ' A' ' 89' ' ' LEU . 4.6 tt -135.41 151.37 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.079 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.75 ' HB2' HD11 ' A' ' 136' ' ' LEU . 61.8 tp -139.38 120.88 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.6 ttm -117.97 119.34 34.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.9 mt -85.34 114.07 22.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -62.27 137.9 58.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.41 -50.18 3.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -79.31 144.05 34.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.44 58.91 5.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -143.52 138.67 29.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -153.3 140.65 19.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -110.69 124.14 51.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.514 HD13 HG12 ' A' ' 75' ' ' VAL . 11.0 tp -111.32 145.28 39.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.51 ' HB2' HG22 ' A' ' 60' ' ' VAL . 5.3 tt0 -135.75 128.22 30.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 101' ' ' LEU . 6.7 mp -93.6 168.55 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.87 -39.9 69.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 66.6 p -128.3 162.91 25.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.91 -25.04 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -67.59 -30.56 70.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.43 -14.77 61.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.06 -39.64 14.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.417 HD11 ' CB ' ' A' ' 57' ' ' PRO . 47.8 mt -63.12 -49.85 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.6 m -66.12 -28.25 68.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.48 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 15.5 ttt -64.65 -61.16 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.64 HG21 ' CE1' ' A' ' 130' ' ' TYR . 48.0 t -48.59 -54.44 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -39.56 -55.05 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -43.65 -38.16 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.545 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 32.2 m-85 -88.53 -30.69 19.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.1 t -41.32 -37.19 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.11 -38.86 6.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.54 133.49 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 21.4 m -102.71 103.19 31.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.556 0.693 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.545 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.1 Cg_endo -75.63 173.96 13.62 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 62.1 m-70 -160.04 118.4 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.807 HD12 HG21 ' A' ' 126' ' ' ILE . 20.6 mt -95.5 143.23 27.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 46.51 34.14 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.9 m120 67.18 46.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -163.37 132.43 2.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.23 163.08 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.807 HG21 HD12 ' A' ' 121' ' ' LEU . 23.6 pt -140.75 149.85 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.814 ' O ' HG23 ' A' ' 63' ' ' ILE . 6.3 m-30 -97.63 131.47 44.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 68.5 mt -138.38 121.6 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.414 ' HG3' ' NH1' ' A' ' 64' ' ' ARG . 26.2 mt-30 -148.03 -178.22 6.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.64 ' CE1' HG21 ' A' ' 111' ' ' VAL . 6.5 m-85 -88.83 175.83 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.4 t -107.41 144.8 33.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.79 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -67.8 -52.11 40.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -81.54 169.61 16.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -104.5 32.83 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -158.79 142.59 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' ' 89' ' ' LEU . 1.1 tm? -39.41 -58.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.418 ' HD3' ' C ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -108.89 145.95 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.799 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 72.4 p -65.88 123.98 21.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.1 t -78.91 157.48 28.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 145.73 95.74 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.51 -47.6 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.736 2.291 . . . . 0.0 112.368 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 73.4 m -123.87 154.4 39.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.4 t -117.12 51.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.828 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t 50.1 41.76 24.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.907 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.3 t -128.54 115.57 18.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.03 146.34 16.09 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.7 m -71.69 154.24 41.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.932 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.4 t -150.57 152.89 34.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.82 -134.85 5.99 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -151.93 175.81 12.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -44.82 61.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -152.39 142.71 22.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -94.26 117.53 30.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.92 -92.02 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.84 76.77 57.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.587 0.708 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -45.94 171.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 t -94.52 142.43 27.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.47 ' CG ' ' HB3' ' A' ' 104' ' ' GLU . 60.8 mtp180 -83.26 -32.63 26.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG11 HD22 ' A' ' 136' ' ' LEU . 47.7 t -89.06 137.91 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.57 HD21 ' HB1' ' A' ' 107' ' ' ALA . 30.3 mt -113.81 137.43 51.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.663 ' CD2' ' NE ' ' A' ' 64' ' ' ARG . 83.3 t60 -93.62 140.79 29.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.538 HG21 HD21 ' A' ' 66' ' ' LEU . 75.6 mt -133.62 134.1 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.663 ' NE ' ' CD2' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -128.91 173.02 10.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 0.0 OUTLIER 55.22 49.24 17.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.538 HD21 HG21 ' A' ' 63' ' ' ILE . 41.7 mt -88.5 144.5 33.79 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.579 0.704 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -47.67 131.53 20.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.377 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.82 118.55 3.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 60.24 49.52 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.1 p -77.52 142.67 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.4 p -88.24 134.12 33.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' THR . 15.3 mt-10 -39.9 -52.22 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' GLU . 84.8 m -35.43 -40.65 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.06 -59.68 4.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.1 -45.47 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 63.5 mt -53.95 -55.54 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.504 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -53.44 -23.76 10.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.039 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.9 mt -85.69 -20.57 29.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.429 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -100.58 -21.83 12.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.433 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.631 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 24.6 mt -58.3 -41.97 92.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.581 0.705 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.2 Cg_exo -47.96 -44.45 27.53 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.548 ' CZ ' ' HA ' ' A' ' 110' ' ' MET . 24.7 m-85 -87.13 -50.47 6.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.45 164.77 31.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.429 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 85' ' ' VAL . 1.6 tmtp? -79.32 137.3 37.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.415 ' N ' ' HD3' ' A' ' 84' ' ' LYS . 97.8 t -81.19 113.36 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.0 p -99.22 -32.68 11.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -138.94 126.65 22.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.9 tt -129.78 155.86 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.4 tp -144.47 113.54 6.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 ttm -116.23 119.93 37.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 48.4 mt -82.58 97.64 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -50.79 136.84 21.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.63 -45.89 3.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.443 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -77.24 174.93 10.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -115.15 47.91 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -141.57 145.81 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.24 145.21 21.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -114.83 122.37 46.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.7 tp -108.94 145.74 34.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.444 ' OE1' ' C ' ' A' ' 59' ' ' ARG . 3.4 tp10 -133.07 125.3 29.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 101' ' ' LEU . 6.0 mp -94.55 160.63 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.0 -59.28 2.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.0 p -113.08 171.47 7.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.47 ' HB3' ' CG ' ' A' ' 59' ' ' ARG . 16.7 pt-20 -73.33 -47.56 41.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.686 ' HA ' HD12 ' A' ' 108' ' ' ILE . 3.3 tt0 -49.13 -42.42 39.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.403 ' C ' HD22 ' A' ' 101' ' ' LEU . . . -53.42 -43.2 67.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.57 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -69.46 -41.64 75.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 105' ' ' GLU . 81.8 mt -52.15 -59.36 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.6 m -53.51 -47.09 70.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.548 ' HA ' ' CZ ' ' A' ' 82' ' ' PHE . 24.6 ttt -44.02 -61.13 1.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.5 t -55.92 -46.35 80.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' SER . 19.8 m120 -53.46 -59.84 4.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -40.48 -44.18 1.99 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.448 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 28.1 m-85 -75.16 -34.01 61.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 114' ' ' TYR . 30.2 t -36.65 -38.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.8 -40.88 7.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.8 t -94.73 129.2 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 48.7 m -101.38 106.4 45.44 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.542 0.687 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.448 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.0 Cg_endo -75.48 158.68 40.21 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -144.09 112.16 6.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.858 HD12 HG21 ' A' ' 126' ' ' ILE . 20.2 mt -90.79 129.95 36.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 47.37 41.29 12.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.2 m120 59.13 44.88 15.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -153.14 105.01 2.62 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.601 0.715 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -42.47 141.2 2.34 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.775 2.317 . . . . 0.0 112.302 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.858 HG21 HD12 ' A' ' 121' ' ' LEU . 32.2 pt -116.04 162.36 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 13.2 m-30 -108.57 136.82 47.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 67.9 mt -141.67 119.19 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -155.41 156.5 35.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -60.26 151.06 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.5 t -82.45 137.6 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -52.05 -62.53 1.57 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -79.87 154.48 28.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -95.03 42.17 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -156.28 132.26 9.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.45 HD22 HG11 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -50.95 -61.76 2.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -109.18 92.44 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 72.7 p -62.03 119.12 8.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 13.0 m -115.5 120.8 40.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 104.7 165.96 24.34 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.393 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.08 -41.74 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 89.9 p -155.94 164.66 38.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.9 t -111.71 147.7 35.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.8 m -147.26 129.48 15.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.3 t -144.21 152.19 40.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.68 70.61 1.07 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.462 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.5 p -111.02 95.35 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 110.808 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 m -114.63 162.89 16.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -112.14 -129.29 5.25 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.512 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -130.28 98.07 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.828 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -127.85 82.46 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.1 mmt -58.35 141.04 52.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.47 140.75 58.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.35 -110.18 1.87 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 76.95 75.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.575 0.702 . . . . 0.0 111.057 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.68 134.63 13.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.298 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 m -113.59 147.43 38.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -79.7 -40.97 27.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.519 HG22 ' HB2' ' A' ' 100' ' ' GLU . 78.8 t -84.55 145.58 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.539 HD21 ' HB1' ' A' ' 107' ' ' ALA . 68.0 mt -115.4 140.37 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.455 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 9.7 t-80 -96.67 115.38 27.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.592 HG21 HD21 ' A' ' 66' ' ' LEU . 70.4 mt -107.82 143.17 18.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.455 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -142.01 168.12 20.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 1.1 mptp? 59.34 40.55 21.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.592 HD21 HG21 ' A' ' 63' ' ' ILE . 53.3 mt -72.61 143.93 85.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -46.9 165.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.732 2.288 . . . . 0.0 112.309 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.403 ' C ' ' CG ' ' A' ' 69' ' ' GLU . . . -74.19 137.26 22.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' CG ' ' C ' ' A' ' 68' ' ' GLY . 3.5 pt-20 40.66 49.99 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.951 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 p -83.47 141.2 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.6 p -92.04 144.88 25.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -44.47 -44.07 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.2 m -38.99 -39.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.165 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.73 -47.86 73.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.71 -14.59 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.1 mt -90.23 -49.97 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -13.01 27.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.845 HD11 HD21 ' A' ' 121' ' ' LEU . 79.6 mt -96.22 -10.72 27.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -113.23 -16.87 8.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.509 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.648 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 27.9 mt -67.09 -41.72 36.72 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.664 0.745 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.4 Cg_exo -47.98 -38.69 31.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.744 2.296 . . . . 0.0 112.347 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -87.83 -46.22 9.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -163.59 164.92 36.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -69.41 134.1 48.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.3 t -81.24 120.44 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.436 ' CG2' ' HA ' ' A' ' 102' ' ' ALA . 65.1 p -92.61 -43.25 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -142.63 145.63 33.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.9 tt -143.59 140.22 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.3 tp -129.34 119.53 24.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.1 ttm -114.83 113.53 24.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.7 mt -85.13 129.99 34.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 94' ' ' LYS . 58.2 tttt -74.95 167.79 21.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.76 -76.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.557 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' LYS . 32.3 mttp -71.65 151.8 43.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.841 0.353 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.21 84.3 6.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -158.71 134.43 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.413 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -154.28 130.94 10.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -96.95 128.86 44.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.7 tp -114.24 143.45 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.519 ' HB2' HG22 ' A' ' 60' ' ' VAL . 3.7 tp10 -131.84 131.99 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.87 174.16 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.436 ' HA ' ' CG2' ' A' ' 86' ' ' THR . . . -47.49 -52.65 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 76.6 p -134.08 -179.42 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -76.23 -38.9 55.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -50.42 -32.43 17.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.15 -41.75 63.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -66.88 -55.49 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.407 HG22 ' OD1' ' A' ' 112' ' ' ASN . 68.9 mt -40.91 -62.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 110' ' ' MET . 77.8 m -47.4 -54.09 12.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 109' ' ' THR . 9.7 ttt -34.54 -64.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 130' ' ' TYR . 52.7 t -54.69 -43.25 65.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.407 ' OD1' HG22 ' A' ' 108' ' ' ILE . 11.6 m120 -57.49 -62.46 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -45.53 -39.25 7.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 116' ' ' ALA . 25.3 m-85 -74.21 -35.19 63.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 114' ' ' TYR . 28.6 t -37.81 -32.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 114' ' ' TYR . . . -103.28 -46.35 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.9 t -94.66 132.27 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.7 m -101.77 122.28 48.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.545 0.688 . . . . 0.0 111.136 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.03 160.65 33.34 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.682 2.255 . . . . 0.0 112.388 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -152.25 109.82 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.845 HD21 HD11 ' A' ' 78' ' ' LEU . 23.2 mt -94.77 123.84 38.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? 52.12 39.28 26.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 63.51 37.84 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -145.72 104.88 4.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.61 0.719 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -44.41 148.96 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.604 2.203 . . . . 0.0 112.439 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.794 HG21 HD12 ' A' ' 121' ' ' LEU . 40.4 pt -128.51 159.64 39.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -104.21 135.83 44.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 52.7 mt -142.3 129.6 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -158.73 -179.0 7.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.599 ' CE1' HG21 ' A' ' 111' ' ' VAL . 3.9 m-85 -73.48 161.49 30.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.8 p -94.86 166.74 11.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -102.74 175.2 5.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -41.06 -29.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -79.66 57.99 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -51.77 177.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.511 ' H ' HG21 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -38.94 -57.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -63.34 147.09 52.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 41.2 p -142.86 121.88 12.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.9 p -112.61 120.75 42.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -59.97 142.94 47.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -79.69 34.08 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.636 2.224 . . . . 0.0 112.339 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.7 m -125.41 152.65 44.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.0 t -169.34 152.42 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.447 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 46' ' ' SER . 62.3 m -131.69 -55.07 1.01 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' SER . 40.5 p 35.08 42.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.46 108.12 0.67 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.8 m -117.48 155.24 30.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.8 p -85.72 174.09 9.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.444 ' C ' ' OD1' ' A' ' 51' ' ' ASP . . . -144.54 -109.79 0.67 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' OD1' ' C ' ' A' ' 50' ' ' GLY . 0.9 OUTLIER -147.92 143.5 27.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.866 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -47.67 162.69 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.5 mtp -57.76 175.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -47.58 136.74 9.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.44 -80.88 0.17 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -173.64 104.93 0.3 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.569 0.699 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.64 171.14 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.727 2.284 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.7 m -152.96 146.78 25.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -59.37 -44.72 92.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 98' ' ' PHE . 90.2 t -83.16 131.86 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.535 HD21 ' HB1' ' A' ' 107' ' ' ALA . 89.4 mt -99.21 127.52 45.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.548 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 9.1 t-80 -93.17 109.2 20.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.693 HG23 ' O ' ' A' ' 127' ' ' TYR . 32.5 mt -109.65 142.87 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.548 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -139.77 176.75 8.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 0.0 OUTLIER 57.13 42.21 26.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.9 mt -67.44 141.68 95.82 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.632 0.729 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.77 145.97 9.0 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.89 123.74 31.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 54.32 48.08 21.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.878 0.37 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 p -81.45 159.4 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.0 p -112.28 135.41 52.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.08 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -40.93 -44.47 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.9 m -42.32 -41.81 2.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.59 -58.15 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.39 -33.69 62.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.1 mt -67.77 -67.94 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.62 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -48.58 -21.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.933 HD11 HD21 ' A' ' 121' ' ' LEU . 50.3 mt -86.75 -30.0 21.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -91.25 -23.34 29.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.433 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.631 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 22.2 mt -56.7 -42.56 96.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.528 0.68 . . . . 0.0 110.935 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.1 Cg_exo -47.96 -54.12 5.67 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 48.8 m-85 -63.95 -51.21 65.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.87 -171.86 21.36 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 85' ' ' VAL . 0.2 OUTLIER -87.42 142.32 27.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.854 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.422 ' N ' ' HD3' ' A' ' 84' ' ' LYS . 70.6 t -91.89 109.43 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.7 p -95.21 -48.16 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -130.68 143.38 50.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.8 tt -143.33 141.5 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.8 tp -136.66 109.03 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.3 ttm -114.18 111.99 22.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.0 mt -77.97 118.44 20.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -49.88 72.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.0 -119.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.471 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -40.09 140.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.325 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -70.89 85.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -155.34 138.47 15.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -150.76 143.31 24.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.441 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 48.2 m-85 -114.1 120.69 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.7 tp -109.59 129.37 55.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.418 ' HB2' HG22 ' A' ' 60' ' ' VAL . 18.8 tt0 -116.4 117.46 29.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' ALA . 6.5 mp -92.12 162.07 14.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -36.79 -60.29 0.62 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.9 p -123.71 158.58 31.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 105' ' ' GLU . 7.1 pt-20 -61.92 -46.06 91.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 104' ' ' GLU . 10.9 tt0 -36.57 -49.89 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.01 76.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.535 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -51.79 -57.97 7.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.1 mt -47.08 -63.95 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.6 m -37.88 -47.48 1.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.569 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 10.1 ttt -63.04 -48.28 79.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.815 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.678 HG21 ' HE1' ' A' ' 130' ' ' TYR . 82.6 t -55.13 -40.4 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.165 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 113' ' ' TYR . 1.7 m-80 -67.16 -61.45 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 112' ' ' ASN . 48.0 t80 -37.84 -38.59 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.53 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 30.9 m-85 -88.07 -38.95 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' TYR . 12.6 t -35.02 -39.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.92 -40.97 8.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.9 t -95.79 128.87 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.0 m -99.9 104.52 29.11 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.534 0.683 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.546 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 60.8 Cg_endo -74.82 -177.23 3.28 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.751 2.301 . . . . 0.0 112.356 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 21.6 m-70 -162.57 119.22 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.933 HD21 HD11 ' A' ' 78' ' ' LEU . 22.4 mt -102.13 127.95 48.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 56.7 mtp85 48.77 40.42 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 27.5 t30 61.41 42.89 11.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -151.31 105.03 2.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -43.39 151.98 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.684 HG21 HD12 ' A' ' 121' ' ' LEU . 43.8 pt -126.67 148.45 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 63' ' ' ILE . 3.4 m-85 -103.24 144.47 31.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 127' ' ' TYR . 59.5 mt -145.9 131.61 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.472 ' HG2' ' N ' ' A' ' 130' ' ' TYR . 53.3 tt0 -171.24 160.36 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.678 ' HE1' HG21 ' A' ' 111' ' ' VAL . 5.6 m-85 -67.94 137.18 54.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.5 t -77.44 -179.66 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 133' ' ' HIS . 76.9 m-20 -95.4 74.86 3.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 132' ' ' ASN . 38.1 m-70 34.82 40.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -96.37 80.14 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -67.27 142.41 56.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 20.5 mt -78.87 98.1 6.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -53.25 163.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.8 p -75.08 -19.88 59.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.8 m -76.94 -54.46 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 122.88 -174.14 16.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -46.01 129.18 12.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.409 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.0 t -61.99 176.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.4 m -113.43 114.71 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.422 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.5 p -164.99 156.54 15.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.374 . . . . 0.0 110.849 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.7 m -122.13 97.36 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.81 -129.56 2.91 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -107.01 83.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.4 p -105.65 95.93 6.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.83 -134.64 10.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -133.87 174.4 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.57 150.49 12.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 4.3 mtp -99.36 43.84 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -40.44 107.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.785 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.27 -106.79 0.83 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.524 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.74 76.83 70.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.556 0.693 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.22 179.54 6.42 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.341 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.7 t -142.71 136.58 29.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -62.82 -28.73 70.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.853 HG22 ' HB2' ' A' ' 100' ' ' GLU . 64.4 t -100.86 126.47 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.836 HD21 ' HB1' ' A' ' 107' ' ' ALA . 20.1 mt -109.02 140.48 42.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.492 ' CD2' ' HE ' ' A' ' 64' ' ' ARG . 82.8 t60 -95.88 141.11 29.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.914 HG23 ' O ' ' A' ' 127' ' ' TYR . 29.3 mt -133.44 140.86 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.492 ' HE ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -130.3 172.27 12.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 0.1 OUTLIER 60.49 40.95 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.5 mt -79.04 143.91 62.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.613 0.721 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.21 127.56 13.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.24 . . . . 0.0 112.418 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -42.48 118.25 1.66 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 59.18 48.52 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.4 p -75.22 152.6 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.4 p -96.3 134.24 39.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.443 ' HB3' HD11 ' A' ' 76' ' ' ILE . 18.0 mt-10 -43.23 -49.33 6.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 86.8 m -40.8 -36.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.182 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -61.45 -67.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 t -56.42 -33.09 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' A' ' 72' ' ' GLU . 74.7 mt -67.95 -44.25 85.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.468 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -63.46 -16.74 61.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.675 HD11 HD21 ' A' ' 121' ' ' LEU . 65.9 mt -90.79 -18.76 24.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.422 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -99.64 -23.23 11.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.522 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 19.8 mt -59.3 -41.87 89.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.5 Cg_exo -47.88 -41.4 32.27 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.371 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -90.81 -50.52 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.12 165.57 32.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -74.49 156.05 37.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.34 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.54 137.65 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.19 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.1 p -116.92 -38.79 3.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -137.35 135.36 36.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.5 tt -143.19 138.74 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.0 tp -131.05 111.92 12.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.3 tpp -107.06 125.12 50.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 91.3 mt -91.75 135.74 33.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -73.25 -63.86 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -50.19 -94.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -57.65 134.73 56.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' LYS . 2.1 m-80 -73.5 76.87 1.44 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.66 162.0 39.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -163.36 156.29 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.571 ' HB2' HD11 ' A' ' 136' ' ' LEU . 40.9 m-85 -113.97 124.75 52.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.2 tp -109.26 147.81 32.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.853 ' HB2' HG22 ' A' ' 60' ' ' VAL . 22.6 tt0 -137.49 123.48 20.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 101' ' ' LEU . 6.1 mp -100.29 159.66 14.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.49 -57.2 9.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.035 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.3 p -99.75 159.46 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.98 -24.95 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -65.88 -29.37 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.89 87.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.836 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -71.12 -49.96 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 80.5 mt -45.6 -59.2 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 79.0 m -64.34 -34.71 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 24.2 ttt -56.18 -64.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.868 HG21 ' CE1' ' A' ' 130' ' ' TYR . 61.5 t -45.23 -55.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.7 m-80 -44.68 -59.85 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ASN . 90.5 t80 -37.68 -41.72 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.594 ' CD2' HD13 ' A' ' 128' ' ' ILE . 40.4 m-85 -84.68 -32.3 23.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 112' ' ' ASN . 22.6 t -36.52 -43.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.34 -39.43 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 65.7 t -87.36 129.7 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.419 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 20.0 m -100.14 106.49 42.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.531 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.8 Cg_endo -77.81 172.27 15.95 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.766 2.31 . . . . 0.0 112.348 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.469 ' CG ' ' C ' ' A' ' 119' ' ' PRO . 13.3 m-70 -159.08 109.46 2.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.762 HD12 HG21 ' A' ' 126' ' ' ILE . 26.3 mt -89.94 137.56 32.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 45.83 36.38 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 13.2 m120 65.11 46.08 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -158.45 113.48 1.7 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -43.53 153.32 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.762 HG21 HD12 ' A' ' 121' ' ' LEU . 24.8 pt -128.72 160.74 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.914 ' O ' HG23 ' A' ' 63' ' ' ILE . 11.5 m-30 -108.11 134.55 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.594 HD13 ' CD2' ' A' ' 114' ' ' TYR . 49.2 mt -133.54 124.86 49.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 7.0 tp-100 -155.89 158.33 37.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.868 ' CE1' HG21 ' A' ' 111' ' ' VAL . 4.1 m-85 -68.08 156.59 37.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.8 m -111.58 157.43 20.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -73.62 -55.06 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -78.8 151.29 32.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 42.89 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -174.65 133.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 98' ' ' PHE . 3.5 mm? -87.8 -43.15 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -91.63 124.14 35.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 70.4 p -116.02 125.84 53.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.6 m -69.19 -64.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 119.66 97.89 1.72 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -42.85 158.18 0.08 OUTLIER 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 53.9 p -127.45 141.79 51.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 45.0 m -83.32 121.88 27.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.9 t -160.88 148.99 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.3 p -70.94 108.47 4.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.08 124.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.0 t -117.95 -51.64 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -108.52 157.3 18.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.57 -116.8 1.39 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.53 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 65.63 45.39 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -102.95 103.17 13.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -136.6 120.45 17.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -83.54 167.49 17.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.11 -47.32 0.19 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -115.33 77.53 5.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.545 0.688 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.87 152.0 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.735 2.29 . . . . 0.0 112.299 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -144.24 154.78 43.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -81.0 -38.21 27.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.8 t -85.07 133.55 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.1 mt -114.99 139.85 49.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.689 ' CE1' ' CD ' ' A' ' 64' ' ' ARG . 9.7 t-160 -87.92 117.24 26.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.615 HG21 HD21 ' A' ' 66' ' ' LEU . 61.5 mt -112.35 137.06 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.689 ' CD ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -146.82 172.19 14.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 22.5 mmmt 62.36 32.26 16.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.615 HD21 HG21 ' A' ' 63' ' ' ILE . 86.5 mt -73.75 144.29 82.79 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.712 0.768 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -46.4 138.39 13.8 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.6 119.7 10.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 61.73 42.68 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.67 140.21 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.8 p -89.47 136.9 32.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -40.36 -48.15 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 90.3 m -37.6 -40.39 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.915 ' OE1' HD22 ' A' ' 121' ' ' LEU . 10.6 mt-10 -60.4 -67.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.0 t -52.83 -40.32 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.87 -55.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -52.12 -20.03 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.402 ' C ' ' HD2' ' A' ' 81' ' ' PRO . 74.3 mt -88.63 -24.15 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -94.86 -21.37 26.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.515 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.648 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 24.5 mt -62.02 -41.91 78.86 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.8 Cg_exo -48.03 -50.76 11.2 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.631 2.22 . . . . 0.0 112.303 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 61.2 m-85 -69.26 -46.22 67.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.17 -98.64 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.539 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -166.71 135.07 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.493 HG22 HD21 ' A' ' 99' ' ' LEU . 74.9 t -79.67 118.65 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.578 HG21 ' HA ' ' A' ' 102' ' ' ALA . 82.2 p -99.23 -41.75 7.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.758 ' HB3' HD13 ' A' ' 136' ' ' LEU . 52.8 m-20 -136.62 124.21 22.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.4 tt -124.56 151.69 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.413 HD23 ' CD1' ' A' ' 98' ' ' PHE . 19.9 tp -137.1 115.82 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.7 ttm -112.79 130.03 56.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.0 mt -101.48 145.15 29.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -73.76 -19.74 60.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 94' ' ' LYS . . . -48.35 175.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.404 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 93' ' ' GLY . 0.0 OUTLIER -36.65 -60.86 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.874 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 0.2 OUTLIER -168.33 104.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 95' ' ' ASN . 51.5 mt-30 -162.84 138.78 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -165.43 157.23 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.413 ' CD1' HD23 ' A' ' 89' ' ' LEU . 14.4 m-85 -130.65 132.42 45.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.493 HD21 HG22 ' A' ' 85' ' ' VAL . 8.8 tp -112.84 146.68 38.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -133.5 107.97 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.552 HD23 ' HB1' ' A' ' 106' ' ' ALA . 7.1 mp -72.85 154.5 40.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.578 ' HA ' HG21 ' A' ' 86' ' ' THR . . . -39.24 -52.78 1.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 62.2 p -133.2 167.77 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.115 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 105' ' ' GLU . 11.5 pt-20 -66.48 -44.79 81.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 9.6 tt0 -37.86 -43.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.552 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -69.5 -46.38 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.065 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.41 -51.73 63.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.0 mt -50.88 -53.79 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.6 m -63.86 -37.64 88.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.569 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 9.7 ttt -53.76 -65.73 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.831 HG21 ' CE1' ' A' ' 130' ' ' TYR . 87.2 t -42.68 -61.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.7 m-80 -38.51 -59.91 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -37.47 -38.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 115' ' ' SER . 34.5 m-85 -88.75 -35.82 16.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 114' ' ' TYR . 17.7 t -36.24 -39.1 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.93 -42.62 6.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.068 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.2 t -92.78 132.6 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.578 HG22 ' CE1' ' A' ' 120' ' ' HIS . 26.4 m -101.12 109.79 59.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.71 . . . . 0.0 111.179 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.513 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 60.9 Cg_endo -75.38 168.82 23.76 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.578 ' CE1' HG22 ' A' ' 118' ' ' THR . 23.8 m-70 -161.33 119.33 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.915 HD22 ' OE1' ' A' ' 74' ' ' GLU . 19.7 mt -100.16 137.86 38.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 49.74 43.02 24.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 61.18 39.97 15.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -150.54 146.51 19.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.529 0.681 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.31 151.55 43.35 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.624 2.216 . . . . 0.0 112.389 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.604 HG21 HD12 ' A' ' 121' ' ' LEU . 37.8 pt -127.49 154.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.483 ' CE2' ' HG3' ' A' ' 65' ' ' LYS . 9.3 m-85 -99.78 136.3 39.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.434 HG13 ' C ' ' A' ' 127' ' ' TYR . 64.0 mt -146.87 124.2 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -154.11 -178.07 6.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.831 ' CE1' HG21 ' A' ' 111' ' ' VAL . 2.8 m-85 -82.81 151.28 26.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.973 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 36.6 t -118.36 113.69 21.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.798 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.491 ' O ' ' CG ' ' A' ' 133' ' ' HIS . 20.4 m-20 -79.52 96.15 6.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 132' ' ' ASN . 47.0 m-70 -164.5 135.22 4.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -47.28 -50.89 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -148.76 -178.46 6.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.758 HD13 ' HB3' ' A' ' 87' ' ' ASN . 4.2 tt -81.43 -48.34 12.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -82.06 131.61 35.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 88.1 m -68.2 118.65 11.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.6 p -58.21 155.78 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -163.86 95.45 0.12 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.54 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.29 132.72 12.01 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.367 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 57.1 p -103.51 132.17 50.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 91.8 p -93.06 -49.18 6.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.918 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.1 m 53.74 42.06 31.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 110.892 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.4 m -65.43 155.11 36.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.93 60.38 2.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -93.04 42.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.8 m -96.03 171.49 8.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -87.86 50.77 4.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.45 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -66.95 162.99 20.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -122.73 114.04 20.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.5 mmt -125.94 87.72 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -142.5 161.75 37.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 169.31 -95.79 0.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.43 80.18 72.88 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.559 0.695 . . . . 0.0 111.104 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.69 152.36 1.01 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.8 m -120.07 154.34 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -80.89 -35.72 32.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.493 HG21 ' HB2' ' A' ' 136' ' ' LEU . 89.0 t -86.22 138.63 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.43 HD12 ' SD ' ' A' ' 110' ' ' MET . 81.4 mt -115.35 138.88 50.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.522 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 11.8 t-80 -94.28 143.75 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 127' ' ' TYR . 69.5 mt -140.1 135.98 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.522 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -123.98 177.74 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt 53.22 46.92 25.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.812 HD11 ' CB ' ' A' ' 97' ' ' ALA . 34.1 mt -69.54 136.93 88.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.543 0.687 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -47.86 133.3 22.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.48 112.52 1.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 68.67 44.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.933 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.2 p -74.69 148.16 8.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.9 p -105.42 139.88 39.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.518 ' HB3' HD11 ' A' ' 76' ' ' ILE . 1.2 mp0 -40.19 -50.45 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.4 m -39.87 -41.72 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -55.78 -67.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.429 ' CG1' HD13 ' A' ' 99' ' ' LEU . 91.9 t -53.87 -42.83 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.518 HD11 ' HB3' ' A' ' 72' ' ' GLU . 44.1 mt -58.93 -45.93 91.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.7 -23.07 66.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.3 -13.41 35.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.2 -7.85 39.78 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.65 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 22.0 mt -78.93 -41.93 1.7 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.8 Cg_exo -47.91 -21.44 2.63 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.29 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 63.1 m-85 -102.49 -49.83 3.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.03 -129.5 1.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.71 130.22 37.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.5 t -83.47 116.35 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.0 p -96.61 -36.32 10.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -133.47 135.89 44.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.05 142.98 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.6 tp -136.22 119.22 16.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.1 ttm -122.43 120.29 33.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.8 mt -84.1 132.26 34.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -71.54 -51.17 24.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -57.45 -94.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.529 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -59.57 159.78 7.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -89.87 70.23 7.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -139.07 157.39 46.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.812 ' CB ' HD11 ' A' ' 66' ' ' LEU . . . -165.47 139.61 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -113.47 127.32 56.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.429 HD13 ' CG1' ' A' ' 75' ' ' VAL . 12.5 tp -109.47 154.2 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -141.5 125.71 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.45 165.67 11.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.08 -54.55 12.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.4 p -116.28 168.51 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 107' ' ' ALA . 10.7 pt-20 -76.73 -45.93 27.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' A' ' 104' ' ' GLU . 21.8 tt0 -38.52 -53.12 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.28 -39.71 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 104' ' ' GLU . . . -62.49 -51.97 65.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.6 mt -55.65 -57.79 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.5 m -56.84 -36.68 70.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.571 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 15.3 ttt -55.99 -56.85 15.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.536 HG11 ' HE1' ' A' ' 130' ' ' TYR . 91.1 t -58.01 -42.08 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -57.35 -57.68 11.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -45.23 -36.58 4.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.447 ' CE1' ' HG3' ' A' ' 119' ' ' PRO . 21.8 m-85 -79.02 -32.0 44.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.9 t -43.38 -33.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.32 -41.01 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.06 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 89.3 t -97.38 132.21 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.442 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 31.9 m -104.38 104.82 46.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.58 0.705 . . . . 0.0 111.199 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.447 ' HG3' ' CE1' ' A' ' 114' ' ' TYR . 60.4 Cg_endo -74.29 167.32 27.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 118' ' ' THR . 20.7 m-70 -155.67 135.71 12.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.527 HD12 HG21 ' A' ' 126' ' ' ILE . 22.6 mt -113.01 134.78 54.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 45.09 43.04 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 58.94 46.14 14.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -154.91 105.03 2.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.555 0.693 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -42.3 152.35 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.527 HG21 HD12 ' A' ' 121' ' ' LEU . 37.3 pt -124.8 158.51 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.175 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.478 ' O ' HG23 ' A' ' 63' ' ' ILE . 12.7 m-30 -107.72 133.85 51.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 53.2 mt -134.26 120.21 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.442 ' OE1' ' NH2' ' A' ' 64' ' ' ARG . 7.7 mt-30 -146.63 157.77 43.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.536 ' HE1' HG11 ' A' ' 111' ' ' VAL . 5.1 m-85 -63.08 131.74 49.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 54.3 p -55.18 178.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -103.66 175.68 5.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -48.16 -31.47 5.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -79.69 47.24 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 136' ' ' LEU . 8.2 pt-20 -66.19 145.4 55.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 60' ' ' VAL . 24.8 mt -35.03 120.17 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -64.25 148.3 50.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 70.8 p -107.05 115.44 30.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 81.9 p -49.89 151.55 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 169.63 79.59 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -76.95 105.59 2.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.266 . . . . 0.0 112.329 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.4 m -56.83 -45.51 82.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 15.1 t 52.71 42.43 31.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.469 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.5 p -167.15 121.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.382 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.8 p -96.94 154.95 16.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.74 48.14 0.78 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.408 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.6 p -93.08 170.17 9.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 55.0 m -153.89 133.29 12.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 178.24 -99.65 0.13 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.565 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.72 146.39 44.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.924 0.393 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -123.18 174.31 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.96 107.69 7.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.9 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.77 144.99 3.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 140.86 -39.07 1.49 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.58 80.84 31.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.72 . . . . 0.0 111.097 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.64 165.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.719 2.279 . . . . 0.0 112.419 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 m -136.8 167.3 21.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.401 ' CG ' ' HB3' ' A' ' 104' ' ' GLU . 81.6 mtt180 -90.92 -43.64 9.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.477 HG22 ' HB2' ' A' ' 100' ' ' GLU . 88.6 t -83.46 142.37 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.8 mt -116.03 137.32 52.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.521 ' CD2' ' HD2' ' A' ' 64' ' ' ARG . 7.7 t60 -87.98 120.32 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.813 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.529 HG21 HD21 ' A' ' 66' ' ' LEU . 72.2 mt -121.1 135.58 60.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.521 ' HD2' ' CD2' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -144.51 -176.8 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.509 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 6.6 mmtp 52.17 28.34 5.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 63' ' ' ILE . 37.2 mt -60.77 143.53 90.92 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.623 0.725 . . . . 0.0 110.944 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -46.3 154.68 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.78 135.41 32.81 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 50.1 46.3 24.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.358 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.453 HG11 ' HB3' ' A' ' 66' ' ' LEU . 7.5 p -88.75 147.53 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.5 p -109.3 151.79 26.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 73' ' ' THR . 92.9 mt-10 -45.25 -42.65 9.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' GLU . 50.9 m -34.88 -47.03 0.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -58.43 -65.44 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.64 -31.34 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 73' ' ' THR . 65.4 mt -70.75 -63.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.74 -17.53 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.428 ' C ' ' HD2' ' A' ' 81' ' ' PRO . 51.2 mt -92.91 -24.42 18.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.426 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -93.14 -25.55 19.06 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 22.3 mt -58.83 -41.89 91.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.722 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.0 Cg_exo -47.98 -49.9 12.94 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.311 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.502 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 51.8 m-85 -78.49 -50.79 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.651 ' HA3' HD23 ' A' ' 101' ' ' LEU . . . -156.57 172.15 34.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.514 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -77.6 141.71 39.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.5 t -80.78 113.81 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.636 HG21 ' HA ' ' A' ' 102' ' ' ALA . 36.7 p -102.7 -44.31 5.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.465 ' HB3' ' CD2' ' A' ' 136' ' ' LEU . 4.3 m-20 -134.57 126.12 28.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.6 tt -129.8 150.48 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.53 HD23 ' CD1' ' A' ' 98' ' ' PHE . 29.2 tp -139.83 123.32 17.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.2 ttm -124.23 140.54 52.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 80.4 mt -112.93 143.64 43.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -76.52 -16.28 59.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' LYS . . . -53.68 -176.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.401 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 93' ' ' GLY . 19.7 mtpt -35.55 -67.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.465 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 36.8 m-20 -170.68 106.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.465 ' CG ' ' O ' ' A' ' 95' ' ' ASN . 34.4 mt-30 -164.7 134.73 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.448 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -161.88 148.06 13.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.53 ' CD1' HD23 ' A' ' 89' ' ' LEU . 7.2 m-85 -120.69 135.27 55.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.2 tp -112.64 147.54 36.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.477 ' HB2' HG22 ' A' ' 60' ' ' VAL . 21.3 tt0 -139.31 111.27 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.826 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.651 HD23 ' HA3' ' A' ' 83' ' ' GLY . 7.1 mp -82.73 151.03 26.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.636 ' HA ' HG21 ' A' ' 86' ' ' THR . . . -37.58 -56.17 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.3 p -113.22 153.43 28.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' HB3' ' CG ' ' A' ' 59' ' ' ARG . 5.6 pt-20 -66.34 -46.67 76.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' A' ' 108' ' ' ILE . 5.1 tt0 -38.74 -52.29 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.7 -52.04 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.42 -40.41 62.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.667 HG22 ' OD1' ' A' ' 112' ' ' ASN . 65.0 mt -60.32 -54.99 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.0 m -56.73 -40.43 75.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.215 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.502 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 13.6 ttt -46.76 -63.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.52 -40.37 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.667 ' OD1' HG22 ' A' ' 108' ' ' ILE . 27.3 m120 -52.49 -56.91 11.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -50.29 -42.62 52.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 115' ' ' SER . 15.9 m-85 -66.85 -36.58 82.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 114' ' ' TYR . 23.1 t -35.48 -39.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.12 -41.94 8.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.7 t -101.79 128.98 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.6 m -101.04 117.37 62.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.46 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 61.1 Cg_endo -75.8 165.34 30.3 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.381 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 38.9 m-70 -159.16 107.24 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.855 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.609 HD12 HG21 ' A' ' 126' ' ' ILE . 20.7 mt -87.22 133.08 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? 46.1 44.07 11.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 56.89 45.85 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -156.4 107.86 2.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.647 0.737 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -43.85 157.81 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.609 HG21 HD12 ' A' ' 121' ' ' LEU . 41.5 pt -131.29 149.49 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.509 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 3.2 m-85 -89.43 133.53 34.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 127' ' ' TYR . 81.0 mt -147.74 126.71 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -156.21 -178.2 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.995 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -85.53 162.04 19.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 78.1 p -106.77 108.47 19.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -92.29 -46.38 7.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -120.33 -37.14 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -81.72 47.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -88.35 138.83 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 87' ' ' ASN . 32.2 tp -54.61 -46.09 73.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 10.0 mmmt -46.89 144.43 2.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 30.4 p -149.09 170.54 18.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.1 t -137.56 153.15 50.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -175.04 99.14 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.08 173.56 14.3 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 33.5 p -129.63 151.55 50.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 83.4 p -79.35 160.26 26.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.559 -0.217 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.1 p -107.27 -60.97 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.7 p -41.24 117.08 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.05 77.07 0.17 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.539 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.8 p -60.63 107.58 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.91 0.385 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -60.66 170.38 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.56 -105.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.14 139.94 47.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -167.27 127.12 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 12.8 mmt -113.48 94.39 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -114.1 119.67 37.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . -106.55 -129.06 6.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.435 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . 73.18 54.65 0.3 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.58 0.705 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.489 ' HD3' ' N ' ' A' ' 56' ' ' ALA . 72.3 Cg_exo -44.66 151.03 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.651 2.234 . . . . 0.0 112.405 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.5 m -121.56 162.85 19.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.448 ' C ' ' OE1' ' A' ' 100' ' ' GLU . 59.8 mtt85 -82.43 -45.77 14.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.415 HG22 ' HB2' ' A' ' 100' ' ' GLU . 66.9 t -86.9 144.29 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.051 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.4 mt -121.88 146.91 46.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.457 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 55.1 t60 -103.99 135.09 46.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.861 HG23 ' O ' ' A' ' 127' ' ' TYR . 59.8 mt -130.58 137.44 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.457 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -123.38 -176.85 3.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? 52.1 41.54 30.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.5 mt -72.85 140.83 81.3 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.595 0.712 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.04 141.04 12.96 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.16 125.01 7.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 45.55 52.81 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.926 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.7 p -78.45 146.99 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.7 p -98.1 145.18 26.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 10.5 mp0 -46.73 -47.46 20.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.9 m -43.95 -40.54 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -57.03 -61.81 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.17 -41.79 81.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.2 -48.56 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.68 -24.46 3.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 121' ' ' LEU . 32.9 mt -88.25 -22.23 24.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.443 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -92.29 -27.24 16.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 21.1 mt -57.22 -42.29 95.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.582 0.706 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.5 Cg_exo -48.01 -55.2 4.24 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.324 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 110' ' ' MET . 96.7 m-85 -66.25 -50.02 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.21 -114.84 0.54 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -149.44 137.98 20.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.3 t -84.48 114.0 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.6 p -97.21 -39.7 9.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.652 ' HB3' HD23 ' A' ' 136' ' ' LEU . 55.8 m-20 -131.26 126.92 36.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.421 HD13 ' HB3' ' A' ' 72' ' ' GLU . 18.9 tt -129.22 144.53 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.613 HD23 ' CD1' ' A' ' 98' ' ' PHE . 24.2 tp -133.9 111.34 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.1 tpp -111.61 106.8 15.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.7 mt -71.07 107.74 4.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -67.62 127.04 31.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.61 -38.3 3.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -104.28 177.54 4.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.778 0.323 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -108.58 44.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -130.13 138.04 50.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.15 143.37 24.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.613 ' CD1' HD23 ' A' ' 89' ' ' LEU . 33.7 m-85 -109.42 126.05 53.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.8 tp -112.17 145.11 40.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' A' ' 59' ' ' ARG . 32.2 tp10 -130.03 136.8 49.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.808 HD23 ' HB1' ' A' ' 106' ' ' ALA . 5.4 mp -105.99 159.35 16.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.18 -59.9 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.064 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.4 p -110.48 164.29 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.01 -35.07 77.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.572 ' HA ' HD12 ' A' ' 108' ' ' ILE . 5.8 tt0 -58.72 -53.57 56.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.808 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -38.91 -40.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.61 -52.22 27.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 105' ' ' GLU . 64.2 mt -46.07 -52.91 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.6 m -56.68 -43.06 80.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 82' ' ' PHE . 10.8 ttt -51.06 -62.52 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.804 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.596 HG11 ' HE1' ' A' ' 130' ' ' TYR . 97.6 t -48.18 -62.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.6 m-80 -48.67 -61.49 2.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.42 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 4.0 t80 -38.34 -38.78 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 115' ' ' SER . 18.8 m-85 -83.27 -36.48 24.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 114' ' ' TYR . 4.5 t -34.28 -41.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -89.34 -43.35 10.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.4 t -107.86 127.0 64.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 75.7 m -100.69 119.71 57.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.698 . . . . 0.0 111.086 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.52 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 62.5 Cg_endo -76.54 178.71 7.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 19.6 m-70 -161.99 108.75 1.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.559 HD12 HG21 ' A' ' 126' ' ' ILE . 24.6 mt -87.81 135.22 33.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 49.03 40.62 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.94 39.56 23.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -146.43 112.21 4.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.74 141.97 7.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.559 HG21 HD12 ' A' ' 121' ' ' LEU . 44.9 pt -116.69 158.05 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.861 ' O ' HG23 ' A' ' 63' ' ' ILE . 3.5 m-30 -106.64 133.26 51.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 53.2 mt -133.29 132.72 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.451 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 8.8 tp60 -166.05 160.27 16.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.596 ' HE1' HG11 ' A' ' 111' ' ' VAL . 13.9 m-85 -66.45 166.25 12.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.4 t -114.33 144.42 43.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -73.14 -55.33 6.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -38.61 146.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -63.87 -48.73 75.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -156.38 172.95 17.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.652 HD23 ' HB3' ' A' ' 87' ' ' ASN . 52.2 tp -83.91 114.61 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 136' ' ' LEU . 16.4 pttt 34.24 42.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 10.1 t -59.27 146.66 38.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 61.9 m -143.98 130.58 20.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.798 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -178.27 -102.88 0.16 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.78 40.83 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.643 2.228 . . . . 0.0 112.338 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 83.2 p -54.26 157.41 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 t -75.08 -44.54 46.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.799 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.409 -0.277 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.8 p -43.56 126.77 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.899 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.4 m -98.73 39.68 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.76 -64.16 4.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.471 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -109.09 114.27 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.824 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -128.61 166.57 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.18 -65.23 3.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -150.89 169.01 22.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -112.98 152.23 29.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 40.4 ttp -142.0 146.1 35.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.76 176.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.803 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.402 ' C ' ' HD3' ' A' ' 57' ' ' PRO . . . -176.11 -110.13 0.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.82 74.9 6.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.535 0.683 . . . . 0.0 111.156 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' C ' ' A' ' 55' ' ' GLY . 71.6 Cg_exo -46.18 125.7 8.97 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.615 2.21 . . . . 0.0 112.372 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t -109.07 136.19 48.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -64.82 -28.08 69.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.422 HG22 ' HB2' ' A' ' 100' ' ' GLU . 39.4 t -92.22 135.19 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 mt -112.23 137.93 49.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.631 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 11.6 t-80 -89.96 121.9 32.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.407 HG21 HD21 ' A' ' 66' ' ' LEU . 64.1 mt -117.59 131.11 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.631 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -132.09 174.19 10.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm 56.78 53.99 7.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.407 HD21 HG21 ' A' ' 63' ' ' ILE . 75.8 mt -92.01 151.63 42.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.566 0.698 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.91 142.33 74.97 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.18 149.06 46.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 60.18 26.35 15.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.15 139.93 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.414 ' H ' ' HG1' ' A' ' 71' ' ' THR . 9.4 p -96.9 152.49 18.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -51.63 -37.77 51.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.0 m -40.14 -42.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -58.84 -54.59 45.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.1 t -63.08 -35.45 71.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 86.0 mt -65.77 -52.74 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.79 -17.47 15.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.9 mt -92.18 -25.39 18.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -96.66 -9.86 56.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.443 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.7 mt -75.11 -41.85 4.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.648 0.737 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.5 Cg_exo -48.08 -30.49 14.35 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.301 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 55.4 m-85 -92.37 -47.35 7.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.01 -127.66 1.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 1.6 tppp? -133.66 142.7 48.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.404 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 44.6 t -96.64 95.73 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.4 p -89.01 -39.14 13.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.783 ' HB3' HD13 ' A' ' 136' ' ' LEU . 20.8 m-20 -128.5 127.98 43.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.501 ' HB ' HD12 ' A' ' 99' ' ' LEU . 7.7 tt -143.4 152.07 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 tp -140.67 130.19 24.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.7 ttm -130.66 125.59 34.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.2 mt -91.56 120.05 32.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -60.15 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -51.78 -78.59 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.443 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -67.74 157.93 33.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.41 ' C ' ' NE2' ' A' ' 96' ' ' GLN . 1.9 m-20 -92.64 44.52 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.41 ' NE2' ' C ' ' A' ' 95' ' ' ASN . 2.4 mp0 -117.65 157.48 26.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -162.07 141.18 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -110.5 124.49 51.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.501 HD12 ' HB ' ' A' ' 88' ' ' ILE . 15.2 tp -112.81 139.82 48.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.422 ' HB2' HG22 ' A' ' 60' ' ' VAL . 59.5 tt0 -126.36 144.39 50.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.7 mp -116.02 142.22 47.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -40.21 -47.67 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 48.3 p -104.63 164.42 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -90.31 -46.88 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -46.69 -28.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.63 -43.63 62.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.41 -41.62 80.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.0 mt -63.19 -48.87 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' MET . 36.5 m -61.92 -51.72 66.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 109' ' ' THR . 9.6 ttt -34.99 -54.66 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.744 HG21 ' CE1' ' A' ' 130' ' ' TYR . 61.8 t -64.95 -54.24 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -44.56 -50.57 9.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -48.68 -50.62 32.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 116' ' ' ALA . 23.6 m-85 -69.0 -28.15 66.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 114' ' ' TYR . 10.2 t -37.44 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' TYR . . . -108.78 -34.75 6.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.1 t -95.67 135.79 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 5.4 m -105.64 108.08 60.74 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.599 0.714 . . . . 0.0 111.129 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.438 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 60.8 Cg_endo -75.12 151.2 38.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 118' ' ' THR . 8.3 m80 -147.29 121.05 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.809 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.488 HD12 HG21 ' A' ' 126' ' ' ILE . 22.2 mt -104.12 137.95 41.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? 45.34 35.89 2.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.5 t30 63.88 47.12 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -159.06 104.96 1.56 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.557 0.694 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -43.81 149.4 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.488 HG21 HD12 ' A' ' 121' ' ' LEU . 21.3 pt -118.06 164.59 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.416 ' HB3' ' CZ ' ' A' ' 64' ' ' ARG . 6.6 m-30 -107.2 129.35 54.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 68.6 mt -132.99 116.73 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -146.06 148.25 32.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.744 ' CE1' HG21 ' A' ' 111' ' ' VAL . 4.1 m-85 -54.26 147.6 13.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.9 t -97.11 123.16 40.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.793 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -61.05 -35.96 78.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -62.92 148.43 47.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -88.03 -52.35 5.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -99.33 145.56 27.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.783 HD13 ' HB3' ' A' ' 87' ' ' ASN . 6.7 tt -71.04 -52.94 16.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -53.27 138.51 32.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 60.0 p -89.08 115.34 26.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.159 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.3 m -43.25 150.76 0.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -157.19 177.59 33.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.432 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.09 153.47 32.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.377 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.5 t -124.56 135.85 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 t -149.03 124.78 10.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.564 179.949 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -156.39 116.82 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.388 . . . . 0.0 110.862 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.1 p -153.14 171.24 18.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.836 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -178.84 -96.61 0.1 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.1 p 38.15 42.26 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 110.836 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.2 t -126.0 106.91 9.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.09 100.98 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.516 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -100.87 177.32 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.815 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -115.54 118.58 33.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.4 ptm -159.57 130.39 5.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -153.44 140.57 19.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -108.93 -87.75 1.9 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.55 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.51 76.1 34.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.632 0.73 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.49 161.18 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.631 2.221 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.6 m -138.12 133.39 33.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.9 -38.12 72.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.468 HG22 ' HB2' ' A' ' 100' ' ' GLU . 65.2 t -87.5 145.5 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.6 mt -115.96 134.92 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.517 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 9.4 t-80 -88.14 132.72 34.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 127' ' ' TYR . 54.0 mt -135.41 143.65 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.517 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -150.31 -177.47 5.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.522 ' HD2' ' CZ ' ' A' ' 127' ' ' TYR . 39.4 mttt 48.68 44.45 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.8 mt -84.57 153.72 61.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.419 ' HD3' HG22 ' A' ' 126' ' ' ILE . 72.1 Cg_exo -46.68 139.82 13.21 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.72 128.33 36.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.438 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 48.32 52.72 13.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 p -81.7 151.68 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.3 p -97.92 132.31 43.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' THR . 73.5 mt-10 -45.57 -46.98 14.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' GLU . 23.0 m -35.55 -40.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.686 ' OE1' HD22 ' A' ' 121' ' ' LEU . 38.6 mt-10 -60.86 -64.92 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.4 t -51.84 -41.19 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.437 ' HA ' HG21 ' A' ' 85' ' ' VAL . 71.8 mt -61.07 -54.51 34.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.33 -21.01 21.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.433 HD11 HD21 ' A' ' 121' ' ' LEU . 52.9 mt -89.04 -18.14 27.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.31 -5.48 55.88 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.0 mt -78.84 -41.86 1.74 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 63.8 Cg_exo -47.92 -29.23 11.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.64 2.227 . . . . 0.0 112.371 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -90.72 -45.42 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.32 -92.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.449 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.522 ' HA ' HD23 ' A' ' 80' ' ' LEU . 13.1 ttmm -166.94 155.07 9.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.607 ' CG1' HD11 ' A' ' 99' ' ' LEU . 96.9 t -105.74 98.53 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.3 p -80.8 -42.31 21.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.461 ' HB3' HD12 ' A' ' 136' ' ' LEU . 4.9 t-20 -128.95 138.05 51.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.8 tt -142.86 138.23 27.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.7 tp -131.71 108.04 9.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.1 tpp -110.89 121.44 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.8 mt -93.11 141.47 28.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -92.81 -45.12 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -50.06 -55.33 15.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.448 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -113.79 167.89 10.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -87.67 65.72 8.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -136.54 153.13 51.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -162.9 146.42 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -120.34 132.19 55.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.607 HD11 ' CG1' ' A' ' 85' ' ' VAL . 11.8 tp -121.75 136.4 54.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.468 ' HB2' HG22 ' A' ' 60' ' ' VAL . 35.1 tt0 -121.09 114.51 21.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 102' ' ' ALA . 6.9 mp -80.93 158.3 25.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.27 -52.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.8 p -136.63 171.48 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.074 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 107' ' ' ALA . 11.6 pt-20 -64.51 -50.73 66.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 104' ' ' GLU . 10.2 tm-20 -35.65 -48.21 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.72 -44.07 91.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 104' ' ' GLU . . . -58.67 -49.03 79.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 69.6 mt -54.5 -61.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.176 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 60.2 m -54.34 -41.94 69.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.173 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 17.2 ttt -49.0 -50.73 34.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.452 HG21 ' CE1' ' A' ' 130' ' ' TYR . 61.8 t -67.32 -39.48 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -55.78 -50.97 69.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -54.09 -38.98 65.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.457 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 18.6 m-85 -75.34 -36.43 61.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.7 m -38.88 -42.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.19 -42.2 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.08 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 78.3 t -87.59 127.02 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.482 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 13.7 m -100.1 106.47 41.79 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.591 0.71 . . . . 0.0 111.186 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.457 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.2 Cg_endo -77.27 158.1 33.36 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' A' ' 118' ' ' THR . 20.6 m80 -151.66 119.96 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.827 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.686 HD22 ' OE1' ' A' ' 74' ' ' GLU . 21.7 mt -99.76 139.03 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 44.08 46.36 7.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 t30 59.73 45.05 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.435 ' CD ' ' HD2' ' A' ' 125' ' ' PRO . 10.5 tp60 -155.41 138.46 10.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.564 0.697 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.435 ' HD2' ' CD ' ' A' ' 124' ' ' GLN . 61.0 Cg_endo -74.56 143.45 30.66 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.631 HD12 HD11 ' A' ' 128' ' ' ILE . 17.2 pt -113.38 154.18 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.522 ' CZ ' ' HD2' ' A' ' 65' ' ' LYS . 3.6 m-30 -107.32 111.17 23.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.631 HD11 HD12 ' A' ' 126' ' ' ILE . 58.7 mt -125.8 147.02 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.452 ' OE1' ' NH2' ' A' ' 64' ' ' ARG . 10.3 pt20 -171.49 -177.94 2.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.452 ' CE1' HG21 ' A' ' 111' ' ' VAL . 6.4 m-85 -70.49 148.12 48.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.2 t -96.92 124.36 40.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.814 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -56.04 -50.77 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -64.33 147.38 52.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -90.51 -48.44 7.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -102.31 164.96 11.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.461 HD12 ' HB3' ' A' ' 87' ' ' ASN . 21.1 mt -108.93 59.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 47.84 44.43 18.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 9.3 t -144.96 134.56 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.4 m -72.16 -60.31 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 118.11 -95.42 0.64 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.7 143.82 21.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.1 t -83.1 143.98 30.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.6 m -112.18 -45.88 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.541 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.92 0.39 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -62.36 -34.23 76.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.0 t -83.56 135.98 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.59 HD21 ' HB1' ' A' ' 107' ' ' ALA . 33.0 mt -117.55 136.7 53.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.023 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.572 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 10.7 t-160 -93.3 144.01 25.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.833 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.582 HG23 ' O ' ' A' ' 127' ' ' TYR . 73.1 mt -135.0 132.75 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.572 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -127.15 171.86 11.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 127' ' ' TYR . 6.6 mtpm? 56.1 48.71 17.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.779 HD11 ' HB3' ' A' ' 97' ' ' ALA . 47.8 mt -81.94 143.27 49.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.09 132.59 18.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.277 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.24 115.05 4.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.44 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 69.53 42.42 1.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 p -73.93 143.79 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 72' ' ' GLU . 77.0 p -96.39 135.08 38.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.938 ' OE1' HD11 ' A' ' 76' ' ' ILE . 9.9 tt0 -36.45 -52.64 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' GLU . 23.6 m -35.44 -52.94 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.76 -57.99 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.26 -24.4 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.938 HD11 ' OE1' ' A' ' 72' ' ' GLU . 90.9 mt -78.62 -36.51 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.12 63.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.588 HD11 HD21 ' A' ' 121' ' ' LEU . 83.5 mt -87.29 -9.78 54.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.437 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -108.61 -23.05 6.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.517 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.645 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 26.4 mt -58.62 -42.07 92.4 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.634 0.73 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 63.8 Cg_exo -47.94 -55.22 4.2 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.638 2.225 . . . . 0.0 112.362 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.532 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 21.7 m-85 -72.58 -50.94 22.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -162.91 -171.25 28.9 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -90.81 140.46 29.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.6 t -87.84 109.45 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 p -88.65 -28.31 20.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -146.35 139.25 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.853 HD13 ' HG3' ' A' ' 72' ' ' GLU . 6.6 tt -143.56 139.98 26.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp -127.76 112.88 15.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.401 ' HE2' ' HB2' ' A' ' 90' ' ' MET . 16.0 tpp -112.25 105.38 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.824 0.345 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -127.52 157.18 40.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.779 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -165.67 149.52 8.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -118.29 129.07 55.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.7 tp -110.12 148.88 30.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -136.62 117.22 13.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.562 HD23 ' HB1' ' A' ' 106' ' ' ALA . 8.2 mp -87.11 156.74 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.69 -55.71 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.5 p -125.11 164.98 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.29 -41.87 89.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -45.6 -46.15 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.562 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -58.11 -29.73 65.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.59 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -74.74 -60.86 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 90.9 mt -41.66 -47.79 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 63.6 m -68.62 -38.7 80.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.532 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 12.1 ttt -55.21 -66.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.8 HG21 ' CE1' ' A' ' 130' ' ' TYR . 84.8 t -40.75 -59.25 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.6 m-80 -37.6 -60.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -40.17 -43.37 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.556 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 29.4 m-85 -80.84 -31.15 35.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 112' ' ' ASN . 9.4 t -44.95 -33.03 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.74 -36.17 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.0 t -96.74 132.32 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.554 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 18.7 m -102.14 104.93 39.75 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.556 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.5 Cg_endo -76.49 164.4 30.68 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.607 2.205 . . . . 0.0 112.385 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.554 ' CE1' ' O ' ' A' ' 118' ' ' THR . 12.7 m80 -150.95 125.2 9.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.754 HD12 HG21 ' A' ' 126' ' ' ILE . 27.1 mt -104.63 130.85 52.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 55.4 44.1 27.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.807 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 17.2 m120 62.25 30.57 17.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 121' ' ' LEU . 67.0 mt-30 -139.06 148.53 57.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.48 142.27 26.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.242 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.754 HG21 HD12 ' A' ' 121' ' ' LEU . 27.1 pt -119.71 149.36 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.582 ' O ' HG23 ' A' ' 63' ' ' ILE . 10.6 m-30 -100.45 135.78 41.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.524 HD13 ' CE2' ' A' ' 114' ' ' TYR . 68.9 mt -142.69 121.72 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.147 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -155.63 171.24 20.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.8 ' CE1' HG21 ' A' ' 111' ' ' VAL . 4.4 m-85 -67.56 172.02 5.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.949 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 53.6 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.841 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.877 0.37 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.3 ptt-85 -64.78 -13.27 54.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.5 t -108.52 149.25 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.495 HD21 ' HB1' ' A' ' 107' ' ' ALA . 36.3 mt -123.17 139.58 53.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.497 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 7.2 t-80 -99.82 119.4 38.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.784 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.405 HG21 HD21 ' A' ' 66' ' ' LEU . 67.9 mt -114.94 144.2 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.497 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -138.16 173.68 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mttt 57.66 51.19 9.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 97' ' ' ALA . 56.3 mt -85.95 142.97 36.9 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.582 0.706 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -47.02 149.78 3.2 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.667 2.245 . . . . 0.0 112.297 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.91 142.06 47.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.418 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 42.25 45.66 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.2 p -84.88 142.57 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.049 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 72' ' ' GLU . 37.6 p -98.66 135.0 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 71' ' ' THR . 10.8 mt-10 -35.69 -39.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -37.73 -46.42 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -54.3 -67.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.3 t -51.58 -42.35 29.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 85.0 mt -57.62 -54.3 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.6 -20.36 55.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.468 HD11 HD21 ' A' ' 121' ' ' LEU . 72.3 mt -89.71 -11.73 41.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.34 -14.46 13.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.562 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.8 mt -69.56 -41.81 17.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.637 0.732 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.9 Cg_exo -47.94 -37.69 29.83 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.466 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 51.1 m-85 -81.52 -50.87 8.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.27 -124.11 0.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.529 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -134.55 142.0 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.788 0.328 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.2 t -95.88 106.87 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.7 p -97.57 -40.45 8.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -128.47 129.24 45.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.8 tt -141.01 152.09 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.5 tp -144.64 119.08 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 16.1 ttm -120.98 135.13 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 96' ' ' GLN . 15.9 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.458 ' HB2' HD12 ' A' ' 91' ' ' LEU . 45.3 mt-30 -125.07 161.64 26.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.515 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -165.96 131.58 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -99.35 138.68 36.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.2 tp -118.63 152.53 35.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -144.07 107.32 4.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.1 mp -83.08 167.2 18.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.0 -52.29 3.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.7 p -138.3 143.41 39.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -48.97 -34.73 13.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -39.03 -51.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.61 -45.06 80.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.495 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -47.72 -43.83 27.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.6 -48.2 89.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 42.0 m -64.43 -34.06 77.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.466 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 15.5 ttt -60.06 -51.95 67.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 130' ' ' TYR . 38.8 t -61.04 -45.4 98.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -51.44 -53.85 32.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -51.33 -40.78 59.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.562 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 17.2 m-85 -76.72 -26.76 55.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.9 m -52.92 -34.55 55.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.85 -43.38 6.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.1 t -94.54 131.59 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.4 m -101.21 105.12 37.43 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.543 0.687 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.562 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.4 Cg_endo -76.25 162.75 33.54 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.405 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -152.12 126.11 9.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.795 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.484 HD12 HG21 ' A' ' 126' ' ' ILE . 32.6 mt -101.6 143.33 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 40.12 46.49 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 59.34 49.59 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 125' ' ' PRO . 10.4 tt0 -160.03 141.74 9.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.553 0.692 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 124' ' ' GLN . 60.1 Cg_endo -74.18 148.98 40.1 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.666 2.244 . . . . 0.0 112.305 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.484 HG21 HD12 ' A' ' 121' ' ' LEU . 43.5 pt -121.39 153.93 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 64' ' ' ARG . 5.7 m-30 -101.53 126.41 48.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 38.4 mt -131.57 126.88 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -157.79 156.68 31.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.599 ' CE1' HG21 ' A' ' 111' ' ' VAL . 5.6 m-85 -58.12 131.99 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.8 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.889 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.854 0.359 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -57.35 -48.97 77.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.419 ' CG2' ' OE1' ' A' ' 100' ' ' GLU . 83.8 t -87.49 122.6 39.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.668 HD21 ' HB1' ' A' ' 107' ' ' ALA . 41.0 mt -94.9 146.13 24.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.627 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 9.4 t-160 -98.33 128.42 44.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.679 HG23 ' O ' ' A' ' 127' ' ' TYR . 73.3 mt -125.99 134.59 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.627 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -130.23 -177.64 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 16.5 mmtp 53.62 50.87 16.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.504 HD11 ' CB ' ' A' ' 97' ' ' ALA . 48.2 mt -82.35 141.36 45.82 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.569 0.7 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.408 ' HD3' HG22 ' A' ' 126' ' ' ILE . 73.4 Cg_exo -47.44 161.58 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.63 108.46 2.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 73.8 46.55 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.93 0.395 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 p -84.06 150.16 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.1 p -98.61 161.11 13.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.99 -42.18 81.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.459 ' HA ' HD12 ' A' ' 76' ' ' ILE . 71.9 m -43.34 -36.42 1.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.199 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.792 ' OE1' HD22 ' A' ' 121' ' ' LEU . 36.8 mt-10 -62.23 -62.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.5 t -54.66 -39.94 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 73' ' ' THR . 35.3 mt -62.29 -51.28 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.86 -16.47 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 80.7 mt -93.11 -20.0 20.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -103.83 -10.5 34.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.426 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 23.8 mt -71.13 -41.83 11.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.729 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.3 Cg_exo -48.1 -31.16 15.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.604 2.203 . . . . 0.0 112.382 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.456 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 59.7 m-85 -96.94 -46.48 6.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.73 158.03 29.53 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' A' ' 85' ' ' VAL . 5.7 tmtt? -66.44 142.83 57.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.441 ' N ' ' HD3' ' A' ' 84' ' ' LYS . 79.3 t -93.87 109.26 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.1 p -86.82 -44.99 11.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -131.0 137.49 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.9 tt -142.03 141.11 29.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.4 tp -133.85 121.14 21.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.9 ttm -120.75 113.99 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.559 HD12 ' HB2' ' A' ' 96' ' ' GLN . 38.4 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.559 ' HB2' HD12 ' A' ' 91' ' ' LEU . 88.1 mt-30 -127.56 153.33 46.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.504 ' CB ' HD11 ' A' ' 66' ' ' LEU . . . -151.05 132.58 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -103.61 121.05 42.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.0 tp -109.16 143.68 38.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.419 ' OE1' ' CG2' ' A' ' 60' ' ' VAL . 28.8 tt0 -131.33 130.86 43.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 101' ' ' LEU . 6.5 mp -106.92 167.95 9.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.59 -56.29 14.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.9 p -113.38 162.95 15.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -74.61 -23.05 58.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 108' ' ' ILE . 33.7 mm-40 -67.66 -41.45 83.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.2 -32.89 64.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.668 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -76.02 -41.01 52.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 105' ' ' GLU . 65.2 mt -58.13 -65.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.3 m -52.63 -34.89 53.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.456 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 13.5 ttt -62.1 -48.57 79.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 107' ' ' ALA . 99.7 t -63.58 -36.4 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.109 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.16 -55.53 24.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -45.51 -36.52 4.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.422 ' CE1' ' HG3' ' A' ' 119' ' ' PRO . 12.0 m-85 -85.13 -37.33 20.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 65.1 m -39.27 -32.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.33 -39.61 6.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 76.2 t -92.33 132.16 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.4 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 13.9 m -103.53 102.44 29.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.728 . . . . 0.0 111.187 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.487 ' C ' ' CG ' ' A' ' 120' ' ' HIS . 62.4 Cg_endo -78.33 174.06 12.94 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.487 ' CG ' ' C ' ' A' ' 119' ' ' PRO . 13.0 m-70 -160.17 120.64 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.792 HD22 ' OE1' ' A' ' 74' ' ' GLU . 27.5 mt -101.13 137.4 39.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? 49.06 42.41 20.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 62.0 40.68 12.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -150.16 144.77 17.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.82 144.1 24.16 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.591 HG21 HD12 ' A' ' 121' ' ' LEU . 22.1 pt -118.88 154.38 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.679 ' O ' HG23 ' A' ' 63' ' ' ILE . 4.0 m-30 -105.16 130.92 53.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 62.5 mt -135.7 126.71 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -164.3 -179.67 6.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -72.73 157.3 37.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.908 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.327 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -95.14 -25.52 16.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.3 t -92.57 125.42 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.644 HD21 ' HB1' ' A' ' 107' ' ' ALA . 45.9 mt -103.64 139.49 38.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.49 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 9.6 t-80 -99.36 121.82 41.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 127' ' ' TYR . 25.2 mt -118.36 142.77 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.49 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -141.53 173.36 11.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.534 ' HD3' ' CE1' ' A' ' 127' ' ' TYR . 11.5 mtpt 61.44 42.31 11.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt -76.86 143.57 71.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.612 0.72 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.87 160.24 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.33 128.21 8.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.444 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 57.76 45.12 19.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.6 148.29 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.3 p -98.08 133.76 42.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -41.98 -45.58 3.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 m -38.61 -41.95 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.672 ' OE1' HD22 ' A' ' 121' ' ' LEU . 35.9 mt-10 -56.26 -57.65 11.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.9 t -60.77 -45.5 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.38 -62.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.447 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -56.4 -17.29 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.709 HD11 HD21 ' A' ' 121' ' ' LEU . 33.5 mt -89.77 -20.19 23.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.3 0.77 35.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.453 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.1 mt -78.84 -41.86 1.74 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 67.2 Cg_exo -48.04 -29.34 11.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.291 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.519 ' CZ ' ' HA ' ' A' ' 110' ' ' MET . 55.9 m-85 -92.58 -49.99 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -162.08 172.33 38.19 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.92 132.61 37.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 23.7 t -80.83 127.57 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.0 p -114.84 -42.19 3.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -128.75 126.83 40.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.41 HD12 ' CD1' ' A' ' 99' ' ' LEU . 13.3 tt -141.56 144.16 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 tp -135.67 107.09 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.449 ' HA ' ' CB ' ' A' ' 97' ' ' ALA . 31.7 ttm -111.2 128.17 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.612 HD12 ' HG3' ' A' ' 96' ' ' GLN . 45.5 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.612 ' HG3' HD12 ' A' ' 91' ' ' LEU . 1.8 pt20 -151.09 151.45 32.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.449 ' CB ' ' HA ' ' A' ' 90' ' ' MET . . . -158.15 145.43 18.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -106.48 124.35 49.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.41 ' CD1' HD12 ' A' ' 88' ' ' ILE . 15.9 tp -109.05 141.08 41.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -130.14 105.89 8.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 101' ' ' LEU . 6.8 mp -75.37 162.56 28.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -36.33 -59.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.8 p -129.59 163.65 25.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -64.5 -22.78 67.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -58.28 -37.6 75.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.92 -40.18 54.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.644 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -62.01 -50.38 72.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 97.2 mt -51.66 -50.73 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.1 m -60.79 -44.89 96.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.519 ' HA ' ' CZ ' ' A' ' 82' ' ' PHE . 11.5 ttt -47.43 -61.74 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.7 t -56.39 -39.07 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 115' ' ' SER . 26.0 m120 -58.83 -57.29 13.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -43.64 -45.41 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.42 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 34.9 m-85 -71.44 -27.61 63.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 112' ' ' ASN . 6.0 t -38.73 -31.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -110.4 -37.59 5.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.5 t -93.14 134.73 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.616 HG22 ' CE1' ' A' ' 120' ' ' HIS . 11.4 m -100.99 107.64 50.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.71 . . . . 0.0 111.057 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.42 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.6 Cg_endo -77.28 144.95 23.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.616 ' CE1' HG22 ' A' ' 118' ' ' THR . 30.6 m-70 -145.24 121.95 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.709 HD21 HD11 ' A' ' 78' ' ' LEU . 22.3 mt -101.51 136.27 41.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 54.99 30.45 14.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 45.7 t30 73.08 35.17 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -145.8 144.56 22.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.9 147.3 30.51 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.619 2.212 . . . . 0.0 112.356 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 13.4 pt -115.99 157.39 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.534 ' CE1' ' HD3' ' A' ' 65' ' ' LYS . 4.7 m-30 -101.49 130.16 47.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.1 mt -135.17 133.87 52.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 33.4 tp60 -165.27 146.3 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.404 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 3.2 m-85 -53.41 165.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.808 0.337 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -76.11 -30.48 58.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.661 HG22 ' HB2' ' A' ' 100' ' ' GLU . 43.1 t -95.05 137.29 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.9 mt -114.91 143.37 45.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 24.9 t-80 -103.16 136.67 42.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.822 HG23 ' O ' ' A' ' 127' ' ' TYR . 16.0 mt -128.16 140.42 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.061 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -130.28 177.27 7.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.532 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 29.9 mmtm 57.82 41.88 24.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 86.6 mt -70.3 141.32 88.46 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.634 0.731 . . . . 0.0 110.946 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.5 148.31 5.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.2 113.25 5.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 66.42 47.14 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 p -81.61 148.73 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.2 p -103.59 145.14 30.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -46.51 -46.7 19.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 92.4 m -41.5 -36.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.96 -67.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.0 t -53.91 -39.64 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.403 HG23 HG21 ' A' ' 85' ' ' VAL . 93.6 mt -60.94 -53.25 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -57.03 -15.67 5.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.944 HD11 HD21 ' A' ' 121' ' ' LEU . 38.4 mt -94.78 -17.86 21.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.88 -4.45 48.41 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.476 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.1 mt -76.56 -41.78 2.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.3 Cg_exo -47.99 -36.37 27.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.27 . . . . 0.0 112.364 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.556 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 48.9 m-85 -82.03 -50.78 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -157.39 -147.94 4.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -112.96 137.5 51.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.403 HG21 HG23 ' A' ' 76' ' ' ILE . 84.7 t -80.68 125.04 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.158 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.3 p -106.6 -32.95 7.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -152.14 133.17 14.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.422 HG12 ' N ' ' A' ' 89' ' ' LEU . 9.3 tt -137.32 151.96 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.422 ' N ' HG12 ' A' ' 88' ' ' ILE . 52.9 tp -136.78 121.07 18.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 37.2 tpp -115.13 106.28 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.2 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.915 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.785 0.326 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -129.15 148.64 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.1 161.08 43.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.466 ' CZ ' ' CD2' ' A' ' 62' ' ' HIS . 71.2 m-85 -131.68 125.21 31.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.9 tp -109.41 143.84 38.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.661 ' HB2' HG22 ' A' ' 60' ' ' VAL . 15.5 tt0 -132.97 115.42 15.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.488 HD23 ' HB1' ' A' ' 106' ' ' ALA . 7.4 mp -87.03 155.07 20.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.84 -49.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.8 p -133.66 155.76 49.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -63.02 -17.87 62.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.85 -49.44 76.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.488 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -65.28 -24.52 67.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.46 -56.82 4.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.1 mt -50.06 -49.14 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.3 m -59.91 -46.35 89.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.556 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 9.0 ttt -46.03 -60.79 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.2 t -55.47 -46.6 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -48.23 -49.42 33.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -57.62 -28.7 63.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 17.3 m-85 -83.64 -31.35 26.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.5 t -41.29 -38.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.39 -43.14 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 86.1 t -85.87 134.01 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.543 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 18.6 m -102.93 105.74 46.9 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.608 0.718 . . . . 0.0 111.13 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.55 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.2 Cg_endo -78.41 147.71 23.0 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' A' ' 118' ' ' THR . 1.9 m80 -141.88 115.91 9.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.944 HD21 HD11 ' A' ' 78' ' ' LEU . 25.5 mt -90.29 146.04 24.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 11.3 mmm-85 43.38 39.86 2.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 62.8 48.29 4.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -165.51 133.51 2.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.744 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.8 165.93 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.632 HG21 HD12 ' A' ' 121' ' ' LEU . 49.1 pt -144.41 153.7 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.822 ' O ' HG23 ' A' ' 63' ' ' ILE . 11.0 m-30 -97.72 124.8 42.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.524 HD11 ' CD1' ' A' ' 126' ' ' ILE . 60.8 mt -133.92 126.49 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -161.38 179.14 8.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -78.14 147.7 34.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.1 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.86 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -87.18 32.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.452 ' O ' HD23 ' A' ' 61' ' ' LEU . 59.6 t -136.49 146.44 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 60' ' ' VAL . 72.3 mt -129.02 119.59 24.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.615 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 9.6 t-80 -92.74 137.21 32.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 127' ' ' TYR . 38.1 mt -129.91 138.84 53.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.615 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -125.04 -176.49 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 44.1 mmtm 48.42 46.21 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.571 HD11 ' CB ' ' A' ' 97' ' ' ALA . 76.4 mt -68.5 140.0 92.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.72 142.57 14.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.5 120.77 17.69 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 57.54 54.58 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 71' ' ' THR . 9.7 p -89.94 158.48 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.422 ' N ' HG22 ' A' ' 70' ' ' VAL . 57.9 p -116.32 146.11 42.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.137 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -47.03 -39.24 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 86.6 m -45.15 -31.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.95 -59.83 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.2 t -59.14 -32.28 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 74.0 mt -71.04 -59.57 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.85 -15.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.539 HD11 HD21 ' A' ' 121' ' ' LEU . 48.5 mt -97.97 -23.45 15.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -95.11 -14.72 47.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.634 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.7 mt -68.58 -41.86 24.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.4 Cg_exo -47.98 -36.12 26.79 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.701 2.267 . . . . 0.0 112.311 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 93.2 m-85 -90.81 -50.31 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.11 172.91 36.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 43.6 tptt -76.04 148.8 37.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 0.0 110.849 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.63 HG22 HD11 ' A' ' 99' ' ' LEU . 73.7 t -96.11 116.67 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.8 p -99.11 -44.88 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -127.91 137.17 52.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.7 tt -143.66 144.17 23.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.1 tp -132.78 112.37 11.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 38.6 tpp -114.18 115.85 28.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' ' 96' ' ' GLN . 35.4 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.477 ' HB2' HD12 ' A' ' 91' ' ' LEU . 22.8 mt-30 -142.32 146.48 35.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.571 ' CB ' HD11 ' A' ' 66' ' ' LEU . . . -153.62 139.12 17.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 62' ' ' HIS . 90.3 m-85 -109.92 126.11 53.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.63 HD11 HG22 ' A' ' 85' ' ' VAL . 39.1 tp -111.18 150.09 30.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -138.53 131.41 29.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.522 HD23 ' HB1' ' A' ' 106' ' ' ALA . 7.3 mp -101.76 157.63 16.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -37.08 -56.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.7 p -127.98 157.82 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -60.41 -31.43 70.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.01 -41.5 64.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.522 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -67.12 -46.78 73.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.442 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -60.32 -56.62 19.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.0 mt -43.25 -52.83 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.9 m -58.64 -44.66 90.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.468 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 19.3 ttt -51.64 -67.41 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.758 HG21 ' CE1' ' A' ' 130' ' ' TYR . 84.8 t -40.44 -60.11 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.8 m-80 -42.72 -61.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 112' ' ' ASN . 70.3 t80 -36.76 -35.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.517 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 43.1 m-85 -90.91 -34.52 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 112' ' ' ASN . 11.4 t -38.3 -38.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.81 -39.76 7.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.2 t -93.4 130.06 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.466 HG22 ' CE1' ' A' ' 120' ' ' HIS . 88.7 m -100.21 104.82 32.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.646 0.736 . . . . 0.0 111.174 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.517 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.4 Cg_endo -75.74 175.61 11.07 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.388 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 69.5 m80 -160.89 119.97 2.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.679 HD12 HG21 ' A' ' 126' ' ' ILE . 21.1 mt -100.79 133.32 45.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 46.9 43.17 13.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 62.53 42.76 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.434 ' CD ' ' HD2' ' A' ' 125' ' ' PRO . 13.7 tp60 -151.21 139.39 12.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.434 ' HD2' ' CD ' ' A' ' 124' ' ' GLN . 61.0 Cg_endo -75.16 145.85 31.41 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.679 HG21 HD12 ' A' ' 121' ' ' LEU . 45.7 pt -119.2 156.44 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.898 ' O ' HG23 ' A' ' 63' ' ' ILE . 9.3 m-30 -105.21 134.37 48.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.489 HD13 ' CD2' ' A' ' 114' ' ' TYR . 45.0 mt -134.6 121.22 34.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -153.44 160.83 42.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.758 ' CE1' HG21 ' A' ' 111' ' ' VAL . 2.9 m-85 -72.57 161.96 30.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 86.8 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.861 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.918 0.39 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.1 ptt-85 -62.85 -33.16 74.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.8 t -90.47 133.26 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.1 mt -115.74 152.11 33.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.583 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 8.7 t-80 -111.28 128.1 55.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 127' ' ' TYR . 11.1 mt -121.06 144.4 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.583 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -139.73 -179.7 6.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 1.5 mmmp? 60.6 27.28 16.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.9 mt -74.97 143.73 78.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.551 0.691 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -47.07 158.82 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.391 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.33 135.06 23.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 46.03 45.75 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.378 . . . . 0.0 110.93 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -78.67 146.6 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.1 p -86.74 158.96 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' GLU . 49.8 mt-10 -65.05 -48.4 73.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' GLU . 96.6 m -35.66 -33.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.787 ' OE2' HD22 ' A' ' 121' ' ' LEU . 4.0 mm-40 -65.74 -59.06 4.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.422 ' HA ' HD12 ' A' ' 78' ' ' LEU . 10.7 t -66.58 -26.2 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.631 HG22 ' CD1' ' A' ' 80' ' ' LEU . 81.9 mt -73.15 -49.44 38.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.1 -12.45 55.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.617 HD11 HD11 ' A' ' 121' ' ' LEU . 41.4 mt -91.66 -29.09 17.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.95 -9.82 47.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.644 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.7 mt -77.99 -41.74 2.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.973 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.2 Cg_exo -48.06 -30.29 13.86 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.626 2.217 . . . . 0.0 112.348 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.497 ' CE2' ' HG2' ' A' ' 110' ' ' MET . 73.0 m-85 -88.07 -48.98 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -151.03 -144.74 3.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 36.5 tptt -113.84 147.83 37.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.435 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 18.0 t -101.57 127.95 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.144 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.8 p -112.44 -39.1 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -139.82 139.51 36.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.1 tt -140.16 143.74 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.599 HD23 ' CD1' ' A' ' 98' ' ' PHE . 9.8 tp -125.64 115.85 20.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.469 ' HG2' ' CB ' ' A' ' 97' ' ' ALA . 20.7 mtp -124.08 123.93 41.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.913 HD12 ' HB2' ' A' ' 96' ' ' GLN . 31.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.1 p30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.769 0.318 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.913 ' HB2' HD12 ' A' ' 91' ' ' LEU . 31.5 mt-30 -149.17 141.9 24.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 90' ' ' MET . . . -163.37 136.85 5.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.599 ' CD1' HD23 ' A' ' 89' ' ' LEU . 21.7 m-85 -102.34 156.71 17.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.4 tp -128.8 142.35 51.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -131.82 109.99 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.15 168.82 10.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.18 -55.43 35.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 58.6 p -112.61 127.58 56.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.168 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -48.3 -34.77 11.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -47.09 -52.35 15.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.5 -49.85 63.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.92 49.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 96.2 mt -54.61 -49.42 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.9 m -58.52 -42.69 88.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.189 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.497 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -52.44 -53.79 40.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.843 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.7 t -59.34 -41.09 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -61.58 -57.42 12.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -49.18 -39.89 31.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -78.72 -21.38 48.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.4 t -46.35 -38.25 8.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.5 -42.16 9.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.5 t -94.1 123.45 46.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 33.4 m -100.0 104.79 31.16 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.603 0.716 . . . . 0.0 111.094 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.508 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 60.8 Cg_endo -74.55 174.87 11.87 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 20.0 m-70 -161.1 118.14 2.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.787 HD22 ' OE2' ' A' ' 74' ' ' GLU . 22.5 mt -101.16 143.54 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 58.47 28.62 17.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 39.0 t30 70.78 31.32 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -147.33 149.93 36.15 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.642 0.734 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.56 144.07 31.46 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.682 2.255 . . . . 0.0 112.361 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.7 pt -108.12 163.69 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.619 ' O ' HG23 ' A' ' 63' ' ' ILE . 7.4 m-30 -109.24 132.01 54.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.5 mt -131.14 132.35 63.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 3.2 tp-100 -163.34 150.17 12.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.45 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 21.0 m-85 -63.82 162.28 13.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 -179.838 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.88 0.372 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.417 ' CG ' ' HB2' ' A' ' 104' ' ' GLU . 58.9 mtp180 -77.93 -36.3 49.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 100' ' ' GLU . 94.1 t -84.71 142.22 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.628 HD21 ' HB1' ' A' ' 107' ' ' ALA . 47.6 mt -116.97 135.1 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.53 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 12.3 t-80 -93.87 126.97 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.4 mt -124.09 139.96 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.53 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -136.29 176.68 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm 60.76 39.68 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.628 HD11 ' HB3' ' A' ' 97' ' ' ALA . 60.4 mt -75.08 138.6 72.46 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.648 0.737 . . . . 0.0 110.937 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -48.01 170.38 0.06 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.73 2.287 . . . . 0.0 112.337 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.16 134.63 12.88 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 54.62 43.98 29.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 p -87.42 141.17 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 72' ' ' GLU . 62.5 p -97.65 132.14 43.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.103 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' THR . 13.7 mp0 -37.43 -37.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.806 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.3 m -37.89 -50.53 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.14 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.415 HG12 HD13 ' A' ' 99' ' ' LEU . 82.5 t -48.81 -27.48 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.187 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 80.4 mt -75.49 -57.03 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.85 -12.77 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.404 HD11 HD21 ' A' ' 121' ' ' LEU . 95.6 mt -91.23 -27.71 18.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -100.17 -6.11 53.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.543 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 27.8 mt -78.36 -41.89 1.96 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.85 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.1 Cg_exo -47.95 -26.12 7.07 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -97.03 -48.38 5.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.44 -138.95 3.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -128.14 135.51 49.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.9 t -88.66 124.28 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 p -107.92 -39.26 5.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -132.59 130.94 40.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.449 HG12 ' N ' ' A' ' 89' ' ' LEU . 2.9 tt -142.3 147.52 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.449 ' N ' HG12 ' A' ' 88' ' ' ILE . 12.0 tp -138.3 123.5 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.3 ttm -121.24 119.25 31.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 96' ' ' GLN . 74.4 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.748 0.309 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.494 ' HB2' HD12 ' A' ' 91' ' ' LEU . 98.4 mt-30 -154.2 145.54 22.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.628 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -153.05 134.59 14.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 98' ' ' PHE . 3.1 m-85 -103.16 131.15 50.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.415 HD13 HG12 ' A' ' 75' ' ' VAL . 13.0 tp -116.71 148.19 41.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.439 ' HB2' HG22 ' A' ' 60' ' ' VAL . 3.8 tp10 -144.54 128.42 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 101' ' ' LEU . 5.6 mp -101.29 -177.12 3.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.22 95.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.7 p -126.36 178.41 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 107' ' ' ALA . 34.3 tt0 -91.42 -50.77 5.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 104' ' ' GLU . 43.1 mt-10 -35.04 -40.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.89 87.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.628 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -55.89 -60.35 3.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 81.4 mt -41.28 -38.75 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.6 m -75.76 -39.79 56.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.5 ttt -56.9 -46.32 82.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.4 t -67.42 -37.12 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.57 -48.56 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -51.22 -33.51 28.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -93.34 -25.15 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.0 t -45.47 -31.58 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.12 -32.93 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.1 t -98.53 134.22 38.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.461 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 25.5 m -102.55 103.82 34.33 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.545 0.688 . . . . 0.0 111.17 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.512 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 61.2 Cg_endo -75.31 172.54 16.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 57.8 m80 -160.6 115.78 2.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.555 HD12 HG21 ' A' ' 126' ' ' ILE . 31.5 mt -95.91 136.55 36.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 52.76 43.95 30.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 60.28 35.42 20.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.478 ' NE2' ' HD2' ' A' ' 125' ' ' PRO . 14.6 mm100 -149.01 149.2 29.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.547 0.689 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.478 ' HD2' ' NE2' ' A' ' 124' ' ' GLN . 60.1 Cg_endo -73.29 157.66 49.61 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.391 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.555 HG21 HD12 ' A' ' 121' ' ' LEU . 48.8 pt -131.85 162.64 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -106.65 126.78 52.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 42.8 mt -130.76 124.43 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.476 ' CG ' ' N ' ' A' ' 130' ' ' TYR . 38.6 tt0 -162.11 168.41 22.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.476 ' N ' ' CG ' ' A' ' 129' ' ' GLN . 3.5 m-85 -62.85 165.77 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.819 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -80.3 -45.23 18.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.631 HG22 ' HB2' ' A' ' 100' ' ' GLU . 58.4 t -82.98 144.89 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 mt -117.52 142.11 47.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.616 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 15.6 t-80 -97.12 130.04 44.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.647 HG23 ' O ' ' A' ' 127' ' ' TYR . 15.2 mt -124.53 144.49 34.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.616 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -133.96 174.89 9.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 2.6 mmmp? 53.15 46.13 27.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 97' ' ' ALA . 29.9 mt -73.96 139.64 76.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.462 ' HG2' HD13 ' A' ' 121' ' ' LEU . 73.8 Cg_exo -47.7 153.33 2.36 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.715 2.277 . . . . 0.0 112.296 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.36 142.43 42.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 41.8 47.1 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 p -88.04 148.72 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.7 p -109.14 148.88 30.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -45.07 -42.53 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 91.8 m -38.2 -41.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.12 -60.18 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.6 t -56.42 -37.49 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.4 mt -68.24 -46.62 80.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.45 -23.41 38.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.5 mt -89.05 -18.67 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.1 -20.4 18.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.378 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.649 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 26.1 mt -63.76 -41.93 67.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.56 0.695 . . . . 0.0 110.834 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.2 Cg_exo -47.88 -48.43 16.16 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -74.79 -43.02 56.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.65 -120.05 0.53 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -144.45 144.99 31.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.3 t -89.94 114.05 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.424 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 44.4 p -93.71 -42.69 9.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.424 ' OD1' ' C ' ' A' ' 86' ' ' THR . 5.7 m-20 -134.41 130.32 36.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 tt -129.35 156.63 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.1 tp -144.52 111.0 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.974 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.6 tpp -110.26 118.31 35.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.8 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -115.69 148.52 39.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -155.16 142.71 19.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.479 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 65.4 m-85 -112.28 128.12 56.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 tp -113.08 145.4 40.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.631 ' HB2' HG22 ' A' ' 60' ' ' VAL . 36.9 tt0 -131.35 132.94 44.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.403 HD22 ' CB ' ' A' ' 106' ' ' ALA . 7.1 mp -101.3 162.99 12.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.52 -53.5 37.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.6 p -111.42 156.86 20.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.5 -22.8 56.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.2 -47.65 83.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.403 ' CB ' HD22 ' A' ' 101' ' ' LEU . . . -52.18 -40.0 60.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.99 -59.22 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.047 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.8 mt -49.39 -52.33 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.8 m -65.05 -35.26 80.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 23.1 ttt -57.44 -59.17 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.763 HG21 ' CE1' ' A' ' 130' ' ' TYR . 86.2 t -46.08 -61.91 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -41.28 -55.37 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -39.18 -36.12 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 115' ' ' SER . 29.2 m-85 -90.67 -36.63 14.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 114' ' ' TYR . 38.5 t -35.14 -38.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.31 -44.75 6.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 87.1 t -91.61 129.57 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.442 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 90.3 m -100.42 109.88 58.41 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.591 0.71 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.434 ' C ' ' CG ' ' A' ' 120' ' ' HIS . 59.8 Cg_endo -73.7 170.22 20.53 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.301 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 118' ' ' THR . 21.8 m-70 -157.13 114.23 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.855 HD12 HG21 ' A' ' 126' ' ' ILE . 23.4 mt -91.94 135.4 33.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 47.07 40.12 9.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 41.5 t30 64.67 43.44 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -153.13 146.26 17.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.85 144.53 27.64 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.855 HG21 HD12 ' A' ' 121' ' ' LEU . 37.5 pt -119.86 167.59 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.647 ' O ' HG23 ' A' ' 63' ' ' ILE . 16.5 m-30 -111.66 134.92 52.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 58.0 mt -137.37 139.19 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -170.93 152.8 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.763 ' CE1' HG21 ' A' ' 111' ' ' VAL . 7.4 m-85 -53.05 138.97 29.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -83.62 19.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.51 HG22 ' HB2' ' A' ' 100' ' ' GLU . 98.2 t -131.19 122.56 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.2 mt -110.82 131.82 54.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.508 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 35.5 t-80 -90.28 144.84 25.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.774 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.814 HG23 ' O ' ' A' ' 127' ' ' TYR . 8.1 mt -140.13 135.16 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -129.77 -175.99 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.439 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 27.1 mmtp 54.05 39.49 30.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.7 mt -68.36 141.09 93.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.72 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -47.78 161.85 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.5 118.94 8.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.439 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 60.15 45.28 11.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.449 HG22 ' N ' ' A' ' 71' ' ' THR . 9.8 p -77.21 158.29 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.449 ' N ' HG22 ' A' ' 70' ' ' VAL . 70.9 p -111.09 152.05 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -54.18 -42.33 69.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 93.5 m -42.39 -34.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.169 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.06 -65.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.514 HG12 HD13 ' A' ' 99' ' ' LEU . 93.1 t -55.27 -26.14 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 88.4 mt -77.2 -48.85 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.1 -17.15 61.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.479 HD11 HD21 ' A' ' 121' ' ' LEU . 87.0 mt -90.35 -15.79 30.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.25 -12.42 19.87 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.644 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 18.0 mt -70.65 -41.86 13.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.729 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.2 Cg_exo -47.93 -40.02 32.57 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.48 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 56.8 m-85 -82.51 -50.73 8.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.61 -125.5 1.57 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.89 130.8 20.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 55.9 t -79.02 113.61 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 p -99.36 -36.87 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -133.84 128.24 34.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.412 HG12 ' N ' ' A' ' 89' ' ' LEU . 4.6 tt -135.41 151.37 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.079 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.412 ' N ' HG12 ' A' ' 88' ' ' ILE . 61.8 tp -139.38 120.88 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.6 ttm -117.97 119.34 34.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.796 0.332 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -143.52 138.67 29.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -153.3 140.65 19.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.428 ' CE2' ' CD2' ' A' ' 62' ' ' HIS . 14.7 m-85 -110.69 124.14 51.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.514 HD13 HG12 ' A' ' 75' ' ' VAL . 11.0 tp -111.32 145.28 39.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.51 ' HB2' HG22 ' A' ' 60' ' ' VAL . 5.3 tt0 -135.75 128.22 30.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 101' ' ' LEU . 6.7 mp -93.6 168.55 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.87 -39.9 69.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 66.6 p -128.3 162.91 25.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.91 -25.04 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -67.59 -30.56 70.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.43 -14.77 61.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.06 -39.64 14.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.12 -49.85 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.6 m -66.12 -28.25 68.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.48 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 15.5 ttt -64.65 -61.16 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.64 HG21 ' CE1' ' A' ' 130' ' ' TYR . 48.0 t -48.59 -54.44 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -39.56 -55.05 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -43.65 -38.16 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.545 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 32.2 m-85 -88.53 -30.69 19.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.1 t -41.32 -37.19 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.11 -38.86 6.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.54 133.49 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.539 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 21.4 m -102.71 103.19 31.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.556 0.693 . . . . 0.0 111.174 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.545 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.1 Cg_endo -75.63 173.96 13.62 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 118' ' ' THR . 43.1 m80 -160.04 118.4 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.807 HD12 HG21 ' A' ' 126' ' ' ILE . 20.6 mt -95.5 143.23 27.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 46.51 34.14 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.9 m120 67.18 46.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -163.37 132.43 2.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.23 163.08 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.807 HG21 HD12 ' A' ' 121' ' ' LEU . 23.6 pt -140.75 149.85 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.814 ' O ' HG23 ' A' ' 63' ' ' ILE . 6.3 m-30 -97.63 131.47 44.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 68.5 mt -138.38 121.6 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.414 ' HG3' ' NH1' ' A' ' 64' ' ' ARG . 26.2 mt-30 -148.03 -178.22 6.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.64 ' CE1' HG21 ' A' ' 111' ' ' VAL . 6.5 m-85 -88.83 175.83 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.79 -179.847 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.47 ' CG ' ' HB3' ' A' ' 104' ' ' GLU . 60.8 mtp180 -83.26 -32.63 26.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.7 t -89.06 137.91 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.57 HD21 ' HB1' ' A' ' 107' ' ' ALA . 30.3 mt -113.81 137.43 51.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 30.9 t-80 -93.62 140.79 29.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.538 HG21 HD21 ' A' ' 66' ' ' LEU . 75.6 mt -133.62 134.1 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -128.91 173.02 10.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 0.0 OUTLIER 55.22 49.24 17.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.538 HD21 HG21 ' A' ' 63' ' ' ILE . 41.7 mt -88.5 144.5 33.79 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.579 0.704 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -47.67 131.53 20.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.377 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.82 118.55 3.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 60.24 49.52 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.1 p -77.52 142.67 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.4 p -88.24 134.12 33.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' THR . 15.3 mt-10 -39.9 -52.22 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' GLU . 84.8 m -35.43 -40.65 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.06 -59.68 4.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.1 -45.47 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 63.5 mt -53.95 -55.54 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.504 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -53.44 -23.76 10.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.039 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.9 mt -85.69 -20.57 29.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.429 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -100.58 -21.83 12.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.433 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.631 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 24.6 mt -58.3 -41.97 92.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.581 0.705 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.2 Cg_exo -47.96 -44.45 27.53 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.548 ' CZ ' ' HA ' ' A' ' 110' ' ' MET . 24.7 m-85 -87.13 -50.47 6.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.45 164.77 31.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.429 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 85' ' ' VAL . 1.6 tmtp? -79.32 137.3 37.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.415 ' N ' ' HD3' ' A' ' 84' ' ' LYS . 97.8 t -81.19 113.36 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.0 p -99.22 -32.68 11.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -138.94 126.65 22.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.9 tt -129.78 155.86 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.4 tp -144.47 113.54 6.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 ttm -116.23 119.93 37.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 . . . . . 0 C--O 1.23 0.03 0 CA-C-O 120.761 0.315 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -141.57 145.81 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.24 145.21 21.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -114.83 122.37 46.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.7 tp -108.94 145.74 34.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.444 ' OE1' ' C ' ' A' ' 59' ' ' ARG . 3.4 tp10 -133.07 125.3 29.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 101' ' ' LEU . 6.0 mp -94.55 160.63 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.0 -59.28 2.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.0 p -113.08 171.47 7.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.47 ' HB3' ' CG ' ' A' ' 59' ' ' ARG . 16.7 pt-20 -73.33 -47.56 41.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.686 ' HA ' HD12 ' A' ' 108' ' ' ILE . 3.3 tt0 -49.13 -42.42 39.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.403 ' C ' HD22 ' A' ' 101' ' ' LEU . . . -53.42 -43.2 67.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.57 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -69.46 -41.64 75.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 105' ' ' GLU . 81.8 mt -52.15 -59.36 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.6 m -53.51 -47.09 70.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.548 ' HA ' ' CZ ' ' A' ' 82' ' ' PHE . 24.6 ttt -44.02 -61.13 1.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.5 t -55.92 -46.35 80.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' SER . 19.8 m120 -53.46 -59.84 4.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -40.48 -44.18 1.99 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.448 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 28.1 m-85 -75.16 -34.01 61.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 114' ' ' TYR . 30.2 t -36.65 -38.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.8 -40.88 7.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.8 t -94.73 129.2 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 48.7 m -101.38 106.4 45.44 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.542 0.687 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.448 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.0 Cg_endo -75.48 158.68 40.21 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -144.09 112.16 6.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.858 HD12 HG21 ' A' ' 126' ' ' ILE . 20.2 mt -90.79 129.95 36.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 47.37 41.29 12.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.2 m120 59.13 44.88 15.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -153.14 105.01 2.62 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.601 0.715 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -42.47 141.2 2.34 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.775 2.317 . . . . 0.0 112.302 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.858 HG21 HD12 ' A' ' 121' ' ' LEU . 32.2 pt -116.04 162.36 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 13.2 m-30 -108.57 136.82 47.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 67.9 mt -141.67 119.19 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -155.41 156.5 35.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -60.26 151.06 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.843 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.942 0.401 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -79.7 -40.97 27.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.519 HG22 ' HB2' ' A' ' 100' ' ' GLU . 78.8 t -84.55 145.58 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.539 HD21 ' HB1' ' A' ' 107' ' ' ALA . 68.0 mt -115.4 140.37 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.455 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 9.7 t-80 -96.67 115.38 27.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.592 HG21 HD21 ' A' ' 66' ' ' LEU . 70.4 mt -107.82 143.17 18.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.455 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -142.01 168.12 20.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 65' ' ' LYS . 1.1 mptp? 59.34 40.55 21.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.592 HD21 HG21 ' A' ' 63' ' ' ILE . 53.3 mt -72.61 143.93 85.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -46.9 165.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.732 2.288 . . . . 0.0 112.309 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.403 ' C ' ' CG ' ' A' ' 69' ' ' GLU . . . -74.19 137.26 22.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' CG ' ' C ' ' A' ' 68' ' ' GLY . 3.5 pt-20 40.66 49.99 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.951 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 p -83.47 141.2 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.6 p -92.04 144.88 25.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -44.47 -44.07 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.2 m -38.99 -39.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.165 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.73 -47.86 73.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.71 -14.59 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.1 mt -90.23 -49.97 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -13.01 27.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.845 HD11 HD21 ' A' ' 121' ' ' LEU . 79.6 mt -96.22 -10.72 27.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -113.23 -16.87 8.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.509 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.648 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 27.9 mt -67.09 -41.72 36.72 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.664 0.745 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.4 Cg_exo -47.98 -38.69 31.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.744 2.296 . . . . 0.0 112.347 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -87.83 -46.22 9.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -163.59 164.92 36.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -69.41 134.1 48.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.3 t -81.24 120.44 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.436 ' CG2' ' HA ' ' A' ' 102' ' ' ALA . 65.1 p -92.61 -43.25 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -142.63 145.63 33.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.9 tt -143.59 140.22 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.3 tp -129.34 119.53 24.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.1 ttm -114.83 113.53 24.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.7 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.698 0.285 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -158.71 134.43 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.413 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -154.28 130.94 10.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -96.95 128.86 44.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.7 tp -114.24 143.45 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.519 ' HB2' HG22 ' A' ' 60' ' ' VAL . 3.7 tp10 -131.84 131.99 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.87 174.16 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.436 ' HA ' ' CG2' ' A' ' 86' ' ' THR . . . -47.49 -52.65 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 76.6 p -134.08 -179.42 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -76.23 -38.9 55.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -50.42 -32.43 17.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.15 -41.75 63.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -66.88 -55.49 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.407 HG22 ' OD1' ' A' ' 112' ' ' ASN . 68.9 mt -40.91 -62.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 110' ' ' MET . 77.8 m -47.4 -54.09 12.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 109' ' ' THR . 9.7 ttt -34.54 -64.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 130' ' ' TYR . 52.7 t -54.69 -43.25 65.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.407 ' OD1' HG22 ' A' ' 108' ' ' ILE . 11.6 m120 -57.49 -62.46 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -45.53 -39.25 7.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 116' ' ' ALA . 25.3 m-85 -74.21 -35.19 63.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 114' ' ' TYR . 28.6 t -37.81 -32.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 114' ' ' TYR . . . -103.28 -46.35 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.9 t -94.66 132.27 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.566 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 20.7 m -101.77 122.28 48.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.545 0.688 . . . . 0.0 111.136 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.03 160.65 33.34 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.682 2.255 . . . . 0.0 112.388 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.566 ' CE1' ' O ' ' A' ' 118' ' ' THR . 20.7 m80 -152.25 109.82 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.845 HD21 HD11 ' A' ' 78' ' ' LEU . 23.2 mt -94.77 123.84 38.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? 52.12 39.28 26.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 63.51 37.84 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -145.72 104.88 4.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.61 0.719 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -44.41 148.96 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.604 2.203 . . . . 0.0 112.439 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.794 HG21 HD12 ' A' ' 121' ' ' LEU . 40.4 pt -128.51 159.64 39.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -104.21 135.83 44.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 52.7 mt -142.3 129.6 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -158.73 -179.0 7.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.599 ' CE1' HG21 ' A' ' 111' ' ' VAL . 3.9 m-85 -73.48 161.49 30.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.842 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.901 0.382 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -59.37 -44.72 92.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 98' ' ' PHE . 90.2 t -83.16 131.86 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.535 HD21 ' HB1' ' A' ' 107' ' ' ALA . 89.4 mt -99.21 127.52 45.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.548 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 9.1 t-80 -93.17 109.2 20.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.693 HG23 ' O ' ' A' ' 127' ' ' TYR . 32.5 mt -109.65 142.87 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.548 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -139.77 176.75 8.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 0.0 OUTLIER 57.13 42.21 26.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.9 mt -67.44 141.68 95.82 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.632 0.729 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.77 145.97 9.0 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.89 123.74 31.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 54.32 48.08 21.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.878 0.37 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 p -81.45 159.4 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.0 p -112.28 135.41 52.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.08 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -40.93 -44.47 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.9 m -42.32 -41.81 2.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.59 -58.15 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.39 -33.69 62.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.1 mt -67.77 -67.94 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.62 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -48.58 -21.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.933 HD11 HD21 ' A' ' 121' ' ' LEU . 50.3 mt -86.75 -30.0 21.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.444 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -91.25 -23.34 29.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.433 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.631 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 22.2 mt -56.7 -42.56 96.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.528 0.68 . . . . 0.0 110.935 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.1 Cg_exo -47.96 -54.12 5.67 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 48.8 m-85 -63.95 -51.21 65.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.87 -171.86 21.36 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 85' ' ' VAL . 0.2 OUTLIER -87.42 142.32 27.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.854 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.422 ' N ' ' HD3' ' A' ' 84' ' ' LYS . 70.6 t -91.89 109.43 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.7 p -95.21 -48.16 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -130.68 143.38 50.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.8 tt -143.33 141.5 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.8 tp -136.66 109.03 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.3 ttm -114.18 111.99 22.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.0 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.785 0.326 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -155.34 138.47 15.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -150.76 143.31 24.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.441 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 48.2 m-85 -114.1 120.69 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.7 tp -109.59 129.37 55.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.418 ' HB2' HG22 ' A' ' 60' ' ' VAL . 18.8 tt0 -116.4 117.46 29.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' ALA . 6.5 mp -92.12 162.07 14.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -36.79 -60.29 0.62 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.9 p -123.71 158.58 31.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 105' ' ' GLU . 7.1 pt-20 -61.92 -46.06 91.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 104' ' ' GLU . 10.9 tt0 -36.57 -49.89 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.01 76.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.535 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -51.79 -57.97 7.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.1 mt -47.08 -63.95 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.6 m -37.88 -47.48 1.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.569 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 10.1 ttt -63.04 -48.28 79.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.815 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.678 HG21 ' HE1' ' A' ' 130' ' ' TYR . 82.6 t -55.13 -40.4 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.165 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 113' ' ' TYR . 1.7 m-80 -67.16 -61.45 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 112' ' ' ASN . 48.0 t80 -37.84 -38.59 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.53 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 30.9 m-85 -88.07 -38.95 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' TYR . 12.6 t -35.02 -39.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.92 -40.97 8.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.9 t -95.79 128.87 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.0 m -99.9 104.52 29.11 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.534 0.683 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.546 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 60.8 Cg_endo -74.82 -177.23 3.28 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.751 2.301 . . . . 0.0 112.356 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 21.6 m-70 -162.57 119.22 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.933 HD21 HD11 ' A' ' 78' ' ' LEU . 22.4 mt -102.13 127.95 48.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 56.7 mtp85 48.77 40.42 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 27.5 t30 61.41 42.89 11.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -151.31 105.03 2.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -43.39 151.98 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.684 HG21 HD12 ' A' ' 121' ' ' LEU . 43.8 pt -126.67 148.45 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 63' ' ' ILE . 3.4 m-85 -103.24 144.47 31.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 127' ' ' TYR . 59.5 mt -145.9 131.61 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.472 ' HG2' ' N ' ' A' ' 130' ' ' TYR . 53.3 tt0 -171.24 160.36 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.678 ' HE1' HG21 ' A' ' 111' ' ' VAL . 5.6 m-85 -67.94 137.18 54.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.853 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -62.82 -28.73 70.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.853 HG22 ' HB2' ' A' ' 100' ' ' GLU . 64.4 t -100.86 126.47 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.836 HD21 ' HB1' ' A' ' 107' ' ' ALA . 20.1 mt -109.02 140.48 42.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.587 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 33.1 t-80 -95.88 141.11 29.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.914 HG23 ' O ' ' A' ' 127' ' ' TYR . 29.3 mt -133.44 140.86 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.587 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -130.3 172.27 12.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 0.1 OUTLIER 60.49 40.95 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.5 mt -79.04 143.91 62.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.613 0.721 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.21 127.56 13.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.24 . . . . 0.0 112.418 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -42.48 118.25 1.66 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 59.18 48.52 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.4 p -75.22 152.6 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.4 p -96.3 134.24 39.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.443 ' HB3' HD11 ' A' ' 76' ' ' ILE . 18.0 mt-10 -43.23 -49.33 6.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 86.8 m -40.8 -36.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.182 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -61.45 -67.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 t -56.42 -33.09 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' A' ' 72' ' ' GLU . 74.7 mt -67.95 -44.25 85.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.468 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -63.46 -16.74 61.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.675 HD11 HD21 ' A' ' 121' ' ' LEU . 65.9 mt -90.79 -18.76 24.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.422 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -99.64 -23.23 11.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.522 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 19.8 mt -59.3 -41.87 89.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.5 Cg_exo -47.88 -41.4 32.27 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.371 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -90.81 -50.52 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.12 165.57 32.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -74.49 156.05 37.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.34 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.54 137.65 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.19 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.1 p -116.92 -38.79 3.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -137.35 135.36 36.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.5 tt -143.19 138.74 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.0 tp -131.05 111.92 12.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.3 tpp -107.06 125.12 50.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.481 HD12 ' NE2' ' A' ' 96' ' ' GLN . 91.3 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' LYS . 2.1 m-80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.774 0.321 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.481 ' NE2' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -156.66 162.0 39.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -163.36 156.29 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.551 ' CZ ' ' CD2' ' A' ' 62' ' ' HIS . 40.9 m-85 -113.97 124.75 52.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.2 tp -109.26 147.81 32.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.853 ' HB2' HG22 ' A' ' 60' ' ' VAL . 22.6 tt0 -137.49 123.48 20.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 101' ' ' LEU . 6.1 mp -100.29 159.66 14.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.49 -57.2 9.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.035 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.3 p -99.75 159.46 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.98 -24.95 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -65.88 -29.37 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.89 87.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.836 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -71.12 -49.96 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 80.5 mt -45.6 -59.2 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 79.0 m -64.34 -34.71 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 24.2 ttt -56.18 -64.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.868 HG21 ' CE1' ' A' ' 130' ' ' TYR . 61.5 t -45.23 -55.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.7 m-80 -44.68 -59.85 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ASN . 90.5 t80 -37.68 -41.72 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.594 ' CD2' HD13 ' A' ' 128' ' ' ILE . 40.4 m-85 -84.68 -32.3 23.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 112' ' ' ASN . 22.6 t -36.52 -43.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.34 -39.43 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 65.7 t -87.36 129.7 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.419 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 20.0 m -100.14 106.49 42.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.531 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.8 Cg_endo -77.81 172.27 15.95 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.766 2.31 . . . . 0.0 112.348 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.469 ' CG ' ' C ' ' A' ' 119' ' ' PRO . 13.3 m-70 -159.08 109.46 2.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.762 HD12 HG21 ' A' ' 126' ' ' ILE . 26.3 mt -89.94 137.56 32.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 45.83 36.38 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 13.2 m120 65.11 46.08 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -158.45 113.48 1.7 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -43.53 153.32 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.762 HG21 HD12 ' A' ' 121' ' ' LEU . 24.8 pt -128.72 160.74 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.914 ' O ' HG23 ' A' ' 63' ' ' ILE . 11.5 m-30 -108.11 134.55 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.594 HD13 ' CD2' ' A' ' 114' ' ' TYR . 49.2 mt -133.54 124.86 49.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 7.0 tp-100 -155.89 158.33 37.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.868 ' CE1' HG21 ' A' ' 111' ' ' VAL . 4.1 m-85 -68.08 156.59 37.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.836 -179.908 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -81.0 -38.21 27.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.8 t -85.07 133.55 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.1 mt -114.99 139.85 49.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.689 ' CE1' ' CD ' ' A' ' 64' ' ' ARG . 9.7 t-160 -87.92 117.24 26.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.615 HG21 HD21 ' A' ' 66' ' ' LEU . 61.5 mt -112.35 137.06 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.689 ' CD ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -146.82 172.19 14.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.483 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 22.5 mmmt 62.36 32.26 16.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.615 HD21 HG21 ' A' ' 63' ' ' ILE . 86.5 mt -73.75 144.29 82.79 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.712 0.768 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -46.4 138.39 13.8 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.6 119.7 10.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 61.73 42.68 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.67 140.21 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.8 p -89.47 136.9 32.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -40.36 -48.15 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 90.3 m -37.6 -40.39 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.915 ' OE1' HD22 ' A' ' 121' ' ' LEU . 10.6 mt-10 -60.4 -67.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.0 t -52.83 -40.32 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.87 -55.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -52.12 -20.03 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.402 ' C ' ' HD2' ' A' ' 81' ' ' PRO . 74.3 mt -88.63 -24.15 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -94.86 -21.37 26.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.515 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.648 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 24.5 mt -62.02 -41.91 78.86 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.8 Cg_exo -48.03 -50.76 11.2 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.631 2.22 . . . . 0.0 112.303 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 61.2 m-85 -69.26 -46.22 67.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.17 -98.64 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.539 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -166.71 135.07 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.493 HG22 HD21 ' A' ' 99' ' ' LEU . 74.9 t -79.67 118.65 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.578 HG21 ' HA ' ' A' ' 102' ' ' ALA . 82.2 p -99.23 -41.75 7.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -136.62 124.21 22.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.4 tt -124.56 151.69 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.413 HD23 ' CD1' ' A' ' 98' ' ' PHE . 19.9 tp -137.1 115.82 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.7 ttm -112.79 130.03 56.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.0 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.731 0.301 . . . . 0.0 110.865 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 95' ' ' ASN . 51.5 mt-30 -162.84 138.78 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -165.43 157.23 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.413 ' CD1' HD23 ' A' ' 89' ' ' LEU . 14.4 m-85 -130.65 132.42 45.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.493 HD21 HG22 ' A' ' 85' ' ' VAL . 8.8 tp -112.84 146.68 38.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -133.5 107.97 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.552 HD23 ' HB1' ' A' ' 106' ' ' ALA . 7.1 mp -72.85 154.5 40.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.578 ' HA ' HG21 ' A' ' 86' ' ' THR . . . -39.24 -52.78 1.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 62.2 p -133.2 167.77 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.115 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 105' ' ' GLU . 11.5 pt-20 -66.48 -44.79 81.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 9.6 tt0 -37.86 -43.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.552 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -69.5 -46.38 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.065 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.41 -51.73 63.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.0 mt -50.88 -53.79 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.6 m -63.86 -37.64 88.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.569 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 9.7 ttt -53.76 -65.73 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.831 HG21 ' CE1' ' A' ' 130' ' ' TYR . 87.2 t -42.68 -61.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.7 m-80 -38.51 -59.91 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -37.47 -38.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 115' ' ' SER . 34.5 m-85 -88.75 -35.82 16.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 114' ' ' TYR . 17.7 t -36.24 -39.1 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.93 -42.62 6.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.068 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.2 t -92.78 132.6 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.578 HG22 ' CE1' ' A' ' 120' ' ' HIS . 26.4 m -101.12 109.79 59.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.71 . . . . 0.0 111.179 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.513 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 60.9 Cg_endo -75.38 168.82 23.76 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.578 ' CE1' HG22 ' A' ' 118' ' ' THR . 23.8 m-70 -161.33 119.33 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.915 HD22 ' OE1' ' A' ' 74' ' ' GLU . 19.7 mt -100.16 137.86 38.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 49.74 43.02 24.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 61.18 39.97 15.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -150.54 146.51 19.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.529 0.681 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.31 151.55 43.35 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.624 2.216 . . . . 0.0 112.389 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.604 HG21 HD12 ' A' ' 121' ' ' LEU . 37.8 pt -127.49 154.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.483 ' CE2' ' HG3' ' A' ' 65' ' ' LYS . 9.3 m-85 -99.78 136.3 39.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.434 HG13 ' C ' ' A' ' 127' ' ' TYR . 64.0 mt -146.87 124.2 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -154.11 -178.07 6.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.831 ' CE1' HG21 ' A' ' 111' ' ' VAL . 2.8 m-85 -82.81 151.28 26.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.973 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.798 -179.78 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.816 0.341 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -80.89 -35.72 32.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.0 t -86.22 138.63 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.43 HD12 ' SD ' ' A' ' 110' ' ' MET . 81.4 mt -115.35 138.88 50.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.522 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 11.8 t-80 -94.28 143.75 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 127' ' ' TYR . 69.5 mt -140.1 135.98 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.522 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -123.98 177.74 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt 53.22 46.92 25.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.812 HD11 ' CB ' ' A' ' 97' ' ' ALA . 34.1 mt -69.54 136.93 88.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.543 0.687 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -47.86 133.3 22.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.48 112.52 1.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 68.67 44.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.933 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.2 p -74.69 148.16 8.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.9 p -105.42 139.88 39.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.518 ' HB3' HD11 ' A' ' 76' ' ' ILE . 1.2 mp0 -40.19 -50.45 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.4 m -39.87 -41.72 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -55.78 -67.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.429 ' CG1' HD13 ' A' ' 99' ' ' LEU . 91.9 t -53.87 -42.83 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.518 HD11 ' HB3' ' A' ' 72' ' ' GLU . 44.1 mt -58.93 -45.93 91.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.7 -23.07 66.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.3 -13.41 35.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.2 -7.85 39.78 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.65 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 22.0 mt -78.93 -41.93 1.7 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.8 Cg_exo -47.91 -21.44 2.63 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.29 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 63.1 m-85 -102.49 -49.83 3.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.03 -129.5 1.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.71 130.22 37.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.5 t -83.47 116.35 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.0 p -96.61 -36.32 10.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -133.47 135.89 44.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.05 142.98 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.6 tp -136.22 119.22 16.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.1 ttm -122.43 120.29 33.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.8 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.794 0.331 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -139.07 157.39 46.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.812 ' CB ' HD11 ' A' ' 66' ' ' LEU . . . -165.47 139.61 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -113.47 127.32 56.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.429 HD13 ' CG1' ' A' ' 75' ' ' VAL . 12.5 tp -109.47 154.2 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -141.5 125.71 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.45 165.67 11.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.08 -54.55 12.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.4 p -116.28 168.51 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 107' ' ' ALA . 10.7 pt-20 -76.73 -45.93 27.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' A' ' 104' ' ' GLU . 21.8 tt0 -38.52 -53.12 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.28 -39.71 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 104' ' ' GLU . . . -62.49 -51.97 65.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.6 mt -55.65 -57.79 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.5 m -56.84 -36.68 70.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.571 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 15.3 ttt -55.99 -56.85 15.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.536 HG11 ' HE1' ' A' ' 130' ' ' TYR . 91.1 t -58.01 -42.08 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -57.35 -57.68 11.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -45.23 -36.58 4.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.447 ' CE1' ' HG3' ' A' ' 119' ' ' PRO . 21.8 m-85 -79.02 -32.0 44.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.9 t -43.38 -33.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.32 -41.01 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.06 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 89.3 t -97.38 132.21 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.442 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 31.9 m -104.38 104.82 46.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.58 0.705 . . . . 0.0 111.199 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.447 ' HG3' ' CE1' ' A' ' 114' ' ' TYR . 60.4 Cg_endo -74.29 167.32 27.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 118' ' ' THR . 20.7 m-70 -155.67 135.71 12.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.527 HD12 HG21 ' A' ' 126' ' ' ILE . 22.6 mt -113.01 134.78 54.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 45.09 43.04 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 58.94 46.14 14.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -154.91 105.03 2.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.555 0.693 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -42.3 152.35 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.527 HG21 HD12 ' A' ' 121' ' ' LEU . 37.3 pt -124.8 158.51 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.175 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.478 ' O ' HG23 ' A' ' 63' ' ' ILE . 12.7 m-30 -107.72 133.85 51.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 53.2 mt -134.26 120.21 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.442 ' OE1' ' NH2' ' A' ' 64' ' ' ARG . 7.7 mt-30 -146.63 157.77 43.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.536 ' HE1' HG11 ' A' ' 111' ' ' VAL . 5.1 m-85 -63.08 131.74 49.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.837 -179.824 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.401 ' CG ' ' HB3' ' A' ' 104' ' ' GLU . 81.6 mtt180 -90.92 -43.64 9.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.477 HG22 ' HB2' ' A' ' 100' ' ' GLU . 88.6 t -83.46 142.37 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.8 mt -116.03 137.32 52.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.509 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 12.0 t-160 -87.98 120.32 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.813 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.529 HG21 HD21 ' A' ' 66' ' ' LEU . 72.2 mt -121.1 135.58 60.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.509 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -144.51 -176.8 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.509 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 6.6 mmtp 52.17 28.34 5.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 63' ' ' ILE . 37.2 mt -60.77 143.53 90.92 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.623 0.725 . . . . 0.0 110.944 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -46.3 154.68 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.78 135.41 32.81 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 50.1 46.3 24.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.358 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.453 HG11 ' HB3' ' A' ' 66' ' ' LEU . 7.5 p -88.75 147.53 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.5 p -109.3 151.79 26.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 73' ' ' THR . 92.9 mt-10 -45.25 -42.65 9.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' GLU . 50.9 m -34.88 -47.03 0.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -58.43 -65.44 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.64 -31.34 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 73' ' ' THR . 65.4 mt -70.75 -63.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.74 -17.53 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.428 ' C ' ' HD2' ' A' ' 81' ' ' PRO . 51.2 mt -92.91 -24.42 18.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.426 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -93.14 -25.55 19.06 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 22.3 mt -58.83 -41.89 91.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.722 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.0 Cg_exo -47.98 -49.9 12.94 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.311 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.502 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 51.8 m-85 -78.49 -50.79 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.651 ' HA3' HD23 ' A' ' 101' ' ' LEU . . . -156.57 172.15 34.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.514 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -77.6 141.71 39.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.5 t -80.78 113.81 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.636 HG21 ' HA ' ' A' ' 102' ' ' ALA . 36.7 p -102.7 -44.31 5.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -134.57 126.12 28.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.6 tt -129.8 150.48 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.53 HD23 ' CD1' ' A' ' 98' ' ' PHE . 29.2 tp -139.83 123.32 17.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.2 ttm -124.23 140.54 52.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.465 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 36.8 m-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.719 0.295 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.465 ' CG ' ' O ' ' A' ' 95' ' ' ASN . 34.4 mt-30 -164.7 134.73 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.448 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -161.88 148.06 13.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.53 ' CD1' HD23 ' A' ' 89' ' ' LEU . 7.2 m-85 -120.69 135.27 55.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.2 tp -112.64 147.54 36.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.477 ' HB2' HG22 ' A' ' 60' ' ' VAL . 21.3 tt0 -139.31 111.27 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.826 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.651 HD23 ' HA3' ' A' ' 83' ' ' GLY . 7.1 mp -82.73 151.03 26.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.636 ' HA ' HG21 ' A' ' 86' ' ' THR . . . -37.58 -56.17 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.3 p -113.22 153.43 28.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' HB3' ' CG ' ' A' ' 59' ' ' ARG . 5.6 pt-20 -66.34 -46.67 76.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' A' ' 108' ' ' ILE . 5.1 tt0 -38.74 -52.29 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.7 -52.04 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.42 -40.41 62.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.667 HG22 ' OD1' ' A' ' 112' ' ' ASN . 65.0 mt -60.32 -54.99 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.0 m -56.73 -40.43 75.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.215 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.502 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 13.6 ttt -46.76 -63.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.52 -40.37 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.667 ' OD1' HG22 ' A' ' 108' ' ' ILE . 27.3 m120 -52.49 -56.91 11.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -50.29 -42.62 52.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 115' ' ' SER . 15.9 m-85 -66.85 -36.58 82.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 114' ' ' TYR . 23.1 t -35.48 -39.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.12 -41.94 8.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.7 t -101.79 128.98 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.6 m -101.04 117.37 62.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.46 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 61.1 Cg_endo -75.8 165.34 30.3 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.381 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 38.9 m-70 -159.16 107.24 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.855 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.609 HD12 HG21 ' A' ' 126' ' ' ILE . 20.7 mt -87.22 133.08 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? 46.1 44.07 11.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 56.89 45.85 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -156.4 107.86 2.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.647 0.737 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -43.85 157.81 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.609 HG21 HD12 ' A' ' 121' ' ' LEU . 41.5 pt -131.29 149.49 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.509 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 3.2 m-85 -89.43 133.53 34.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 127' ' ' TYR . 81.0 mt -147.74 126.71 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -156.21 -178.2 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.995 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -85.53 162.04 19.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.802 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.448 ' C ' ' OE1' ' A' ' 100' ' ' GLU . 59.8 mtt85 -82.43 -45.77 14.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.415 HG22 ' HB2' ' A' ' 100' ' ' GLU . 66.9 t -86.9 144.29 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.051 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.4 mt -121.88 146.91 46.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.589 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 17.5 t-80 -103.99 135.09 46.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.861 HG23 ' O ' ' A' ' 127' ' ' TYR . 59.8 mt -130.58 137.44 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.589 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -123.38 -176.85 3.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? 52.1 41.54 30.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.5 mt -72.85 140.83 81.3 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.595 0.712 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.04 141.04 12.96 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.16 125.01 7.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 45.55 52.81 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.926 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.7 p -78.45 146.99 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.7 p -98.1 145.18 26.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.432 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 10.5 mp0 -46.73 -47.46 20.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.9 m -43.95 -40.54 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -57.03 -61.81 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.17 -41.79 81.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.2 -48.56 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.68 -24.46 3.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 121' ' ' LEU . 32.9 mt -88.25 -22.23 24.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.443 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -92.29 -27.24 16.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 21.1 mt -57.22 -42.29 95.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.582 0.706 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.5 Cg_exo -48.01 -55.2 4.24 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.324 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 110' ' ' MET . 96.7 m-85 -66.25 -50.02 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.21 -114.84 0.54 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -149.44 137.98 20.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.3 t -84.48 114.0 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.6 p -97.21 -39.7 9.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -131.26 126.92 36.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.421 HD13 ' HB3' ' A' ' 72' ' ' GLU . 18.9 tt -129.22 144.53 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.613 HD23 ' CD1' ' A' ' 98' ' ' PHE . 24.2 tp -133.9 111.34 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.1 tpp -111.61 106.8 15.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.7 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.747 0.308 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -130.13 138.04 50.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.15 143.37 24.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.613 ' CD1' HD23 ' A' ' 89' ' ' LEU . 33.7 m-85 -109.42 126.05 53.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.8 tp -112.17 145.11 40.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' A' ' 59' ' ' ARG . 32.2 tp10 -130.03 136.8 49.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.808 HD23 ' HB1' ' A' ' 106' ' ' ALA . 5.4 mp -105.99 159.35 16.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.18 -59.9 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.064 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.4 p -110.48 164.29 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.01 -35.07 77.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.572 ' HA ' HD12 ' A' ' 108' ' ' ILE . 5.8 tt0 -58.72 -53.57 56.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.808 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -38.91 -40.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.61 -52.22 27.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 105' ' ' GLU . 64.2 mt -46.07 -52.91 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.6 m -56.68 -43.06 80.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 82' ' ' PHE . 10.8 ttt -51.06 -62.52 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.804 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.596 HG11 ' HE1' ' A' ' 130' ' ' TYR . 97.6 t -48.18 -62.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.6 m-80 -48.67 -61.49 2.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 4.0 t80 -38.34 -38.78 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 115' ' ' SER . 18.8 m-85 -83.27 -36.48 24.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 114' ' ' TYR . 4.5 t -34.28 -41.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -89.34 -43.35 10.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.4 t -107.86 127.0 64.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 75.7 m -100.69 119.71 57.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.698 . . . . 0.0 111.086 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.52 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 62.5 Cg_endo -76.54 178.71 7.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 19.6 m-70 -161.99 108.75 1.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.559 HD12 HG21 ' A' ' 126' ' ' ILE . 24.6 mt -87.81 135.22 33.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 49.03 40.62 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.94 39.56 23.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -146.43 112.21 4.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.74 141.97 7.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.559 HG21 HD12 ' A' ' 121' ' ' LEU . 44.9 pt -116.69 158.05 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.861 ' O ' HG23 ' A' ' 63' ' ' ILE . 3.5 m-30 -106.64 133.26 51.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 53.2 mt -133.29 132.72 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.451 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 8.8 tp60 -166.05 160.27 16.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.596 ' HE1' HG11 ' A' ' 111' ' ' VAL . 13.9 m-85 -66.45 166.25 12.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.827 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -64.82 -28.08 69.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.422 HG22 ' HB2' ' A' ' 100' ' ' GLU . 39.4 t -92.22 135.19 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 mt -112.23 137.93 49.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.631 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 11.6 t-80 -89.96 121.9 32.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.407 HG21 HD21 ' A' ' 66' ' ' LEU . 64.1 mt -117.59 131.11 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.631 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -132.09 174.19 10.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm 56.78 53.99 7.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.407 HD21 HG21 ' A' ' 63' ' ' ILE . 75.8 mt -92.01 151.63 42.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.566 0.698 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.91 142.33 74.97 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.18 149.06 46.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 60.18 26.35 15.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.15 139.93 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.414 ' H ' ' HG1' ' A' ' 71' ' ' THR . 9.4 p -96.9 152.49 18.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -51.63 -37.77 51.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.0 m -40.14 -42.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -58.84 -54.59 45.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.1 t -63.08 -35.45 71.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 86.0 mt -65.77 -52.74 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.79 -17.47 15.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.9 mt -92.18 -25.39 18.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -96.66 -9.86 56.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.443 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.7 mt -75.11 -41.85 4.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.648 0.737 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.5 Cg_exo -48.08 -30.49 14.35 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.301 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 55.4 m-85 -92.37 -47.35 7.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.01 -127.66 1.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 1.6 tppp? -133.66 142.7 48.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.404 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 44.6 t -96.64 95.73 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.4 p -89.01 -39.14 13.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -128.5 127.98 43.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.501 ' HB ' HD12 ' A' ' 99' ' ' LEU . 7.7 tt -143.4 152.07 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 tp -140.67 130.19 24.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.7 ttm -130.66 125.59 34.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.41 ' C ' ' NE2' ' A' ' 96' ' ' GLN . 1.9 m-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.721 0.296 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.41 ' NE2' ' C ' ' A' ' 95' ' ' ASN . 2.4 mp0 -117.65 157.48 26.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -162.07 141.18 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -110.5 124.49 51.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.501 HD12 ' HB ' ' A' ' 88' ' ' ILE . 15.2 tp -112.81 139.82 48.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.422 ' HB2' HG22 ' A' ' 60' ' ' VAL . 59.5 tt0 -126.36 144.39 50.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.7 mp -116.02 142.22 47.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -40.21 -47.67 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 48.3 p -104.63 164.42 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -90.31 -46.88 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -46.69 -28.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.63 -43.63 62.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.41 -41.62 80.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.0 mt -63.19 -48.87 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' MET . 36.5 m -61.92 -51.72 66.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 109' ' ' THR . 9.6 ttt -34.99 -54.66 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.744 HG21 ' CE1' ' A' ' 130' ' ' TYR . 61.8 t -64.95 -54.24 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -44.56 -50.57 9.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -48.68 -50.62 32.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 116' ' ' ALA . 23.6 m-85 -69.0 -28.15 66.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 114' ' ' TYR . 10.2 t -37.44 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' TYR . . . -108.78 -34.75 6.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.1 t -95.67 135.79 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 5.4 m -105.64 108.08 60.74 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.599 0.714 . . . . 0.0 111.129 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.438 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 60.8 Cg_endo -75.12 151.2 38.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 118' ' ' THR . 8.3 m80 -147.29 121.05 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.809 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.488 HD12 HG21 ' A' ' 126' ' ' ILE . 22.2 mt -104.12 137.95 41.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? 45.34 35.89 2.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.5 t30 63.88 47.12 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -159.06 104.96 1.56 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.557 0.694 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -43.81 149.4 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.488 HG21 HD12 ' A' ' 121' ' ' LEU . 21.3 pt -118.06 164.59 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.416 ' HB3' ' CZ ' ' A' ' 64' ' ' ARG . 6.6 m-30 -107.2 129.35 54.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 68.6 mt -132.99 116.73 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -146.06 148.25 32.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.744 ' CE1' HG21 ' A' ' 111' ' ' VAL . 4.1 m-85 -54.26 147.6 13.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.793 -179.765 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.9 -38.12 72.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.468 HG22 ' HB2' ' A' ' 100' ' ' GLU . 65.2 t -87.5 145.5 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.6 mt -115.96 134.92 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.517 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 9.4 t-80 -88.14 132.72 34.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 127' ' ' TYR . 54.0 mt -135.41 143.65 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.517 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -150.31 -177.47 5.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.522 ' HD2' ' CZ ' ' A' ' 127' ' ' TYR . 39.4 mttt 48.68 44.45 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.8 mt -84.57 153.72 61.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.419 ' HD3' HG22 ' A' ' 126' ' ' ILE . 72.1 Cg_exo -46.68 139.82 13.21 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.72 128.33 36.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.438 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 48.32 52.72 13.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 p -81.7 151.68 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.3 p -97.92 132.31 43.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' THR . 73.5 mt-10 -45.57 -46.98 14.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' GLU . 23.0 m -35.55 -40.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.686 ' OE1' HD22 ' A' ' 121' ' ' LEU . 38.6 mt-10 -60.86 -64.92 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.4 t -51.84 -41.19 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.437 ' HA ' HG21 ' A' ' 85' ' ' VAL . 71.8 mt -61.07 -54.51 34.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.33 -21.01 21.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.433 HD11 HD21 ' A' ' 121' ' ' LEU . 52.9 mt -89.04 -18.14 27.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.31 -5.48 55.88 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.0 mt -78.84 -41.86 1.74 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 63.8 Cg_exo -47.92 -29.23 11.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.64 2.227 . . . . 0.0 112.371 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -90.72 -45.42 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.32 -92.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.449 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.522 ' HA ' HD23 ' A' ' 80' ' ' LEU . 13.1 ttmm -166.94 155.07 9.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.607 ' CG1' HD11 ' A' ' 99' ' ' LEU . 96.9 t -105.74 98.53 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.3 p -80.8 -42.31 21.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -128.95 138.05 51.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.8 tt -142.86 138.23 27.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.7 tp -131.71 108.04 9.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.1 tpp -110.89 121.44 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.8 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.1 p30 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.756 0.312 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -136.54 153.13 51.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -162.9 146.42 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -120.34 132.19 55.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.607 HD11 ' CG1' ' A' ' 85' ' ' VAL . 11.8 tp -121.75 136.4 54.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.468 ' HB2' HG22 ' A' ' 60' ' ' VAL . 35.1 tt0 -121.09 114.51 21.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 102' ' ' ALA . 6.9 mp -80.93 158.3 25.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.27 -52.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.8 p -136.63 171.48 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.074 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 107' ' ' ALA . 11.6 pt-20 -64.51 -50.73 66.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 104' ' ' GLU . 10.2 tm-20 -35.65 -48.21 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.72 -44.07 91.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 104' ' ' GLU . . . -58.67 -49.03 79.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 69.6 mt -54.5 -61.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.176 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 60.2 m -54.34 -41.94 69.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.173 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 17.2 ttt -49.0 -50.73 34.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.452 HG21 ' CE1' ' A' ' 130' ' ' TYR . 61.8 t -67.32 -39.48 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -55.78 -50.97 69.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -54.09 -38.98 65.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.457 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 18.6 m-85 -75.34 -36.43 61.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.7 m -38.88 -42.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.19 -42.2 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.08 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 78.3 t -87.59 127.02 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.442 HG22 ' CE1' ' A' ' 120' ' ' HIS . 13.7 m -100.1 106.47 41.79 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.591 0.71 . . . . 0.0 111.186 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.457 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.2 Cg_endo -77.27 158.1 33.36 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.442 ' CE1' HG22 ' A' ' 118' ' ' THR . 32.8 m-70 -151.66 119.96 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.827 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.686 HD22 ' OE1' ' A' ' 74' ' ' GLU . 21.7 mt -99.76 139.03 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 44.08 46.36 7.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 t30 59.73 45.05 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.435 ' CD ' ' HD2' ' A' ' 125' ' ' PRO . 10.5 tp60 -155.41 138.46 10.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.564 0.697 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.435 ' HD2' ' CD ' ' A' ' 124' ' ' GLN . 61.0 Cg_endo -74.56 143.45 30.66 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.631 HD12 HD11 ' A' ' 128' ' ' ILE . 17.2 pt -113.38 154.18 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.522 ' CZ ' ' HD2' ' A' ' 65' ' ' LYS . 3.6 m-30 -107.32 111.17 23.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.631 HD11 HD12 ' A' ' 126' ' ' ILE . 58.7 mt -125.8 147.02 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.452 ' OE1' ' NH2' ' A' ' 64' ' ' ARG . 10.3 pt20 -171.49 -177.94 2.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.452 ' CE1' HG21 ' A' ' 111' ' ' VAL . 6.4 m-85 -70.49 148.12 48.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.814 -179.849 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.1 m -62.8 121.09 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.919 0.39 . . . . 0.0 110.859 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.6 p -123.51 116.22 22.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.54 -165.5 1.01 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.503 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.0 t -170.63 129.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 0.0 110.811 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -115.12 113.02 23.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.58 148.07 19.69 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.529 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -40.18 -54.08 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? 60.99 41.76 13.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.7 ttt -94.2 92.39 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -95.86 105.52 17.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.36 -60.57 0.1 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -119.2 73.71 13.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.578 0.704 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.8 155.95 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.4 t -119.8 131.66 55.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -62.36 -34.23 76.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.0 t -83.56 135.98 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.59 HD21 ' HB1' ' A' ' 107' ' ' ALA . 33.0 mt -117.55 136.7 53.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.023 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.572 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 10.7 t-160 -93.3 144.01 25.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.833 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.582 HG23 ' O ' ' A' ' 127' ' ' TYR . 73.1 mt -135.0 132.75 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.572 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -127.15 171.86 11.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 127' ' ' TYR . 6.6 mtpm? 56.1 48.71 17.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.779 HD11 ' HB3' ' A' ' 97' ' ' ALA . 47.8 mt -81.94 143.27 49.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.09 132.59 18.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.277 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.24 115.05 4.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.44 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 69.53 42.42 1.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 p -73.93 143.79 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 72' ' ' GLU . 77.0 p -96.39 135.08 38.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.938 ' OE1' HD11 ' A' ' 76' ' ' ILE . 9.9 tt0 -36.45 -52.64 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' GLU . 23.6 m -35.44 -52.94 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.76 -57.99 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.26 -24.4 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.938 HD11 ' OE1' ' A' ' 72' ' ' GLU . 90.9 mt -78.62 -36.51 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.12 63.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.588 HD11 HD21 ' A' ' 121' ' ' LEU . 83.5 mt -87.29 -9.78 54.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.437 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -108.61 -23.05 6.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.517 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.645 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 26.4 mt -58.62 -42.07 92.4 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.634 0.73 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 63.8 Cg_exo -47.94 -55.22 4.2 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.638 2.225 . . . . 0.0 112.362 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.532 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 21.7 m-85 -72.58 -50.94 22.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -162.91 -171.25 28.9 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -90.81 140.46 29.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.6 t -87.84 109.45 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 p -88.65 -28.31 20.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.702 ' HB3' HD13 ' A' ' 136' ' ' LEU . 76.9 m-20 -146.35 139.25 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.853 HD13 ' HG3' ' A' ' 72' ' ' GLU . 6.6 tt -143.56 139.98 26.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp -127.76 112.88 15.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.401 ' HE2' ' HB2' ' A' ' 90' ' ' MET . 16.0 tpp -112.25 105.38 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.3 mt -90.68 125.89 35.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -94.89 83.74 4.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.19 -62.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.561 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' C ' ' CG ' ' A' ' 95' ' ' ASN . 20.1 tptt -105.58 26.33 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.429 ' CG ' ' C ' ' A' ' 94' ' ' LYS . 1.0 OUTLIER 46.98 52.02 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -127.52 157.18 40.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.779 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -165.67 149.52 8.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -118.29 129.07 55.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.7 tp -110.12 148.88 30.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.543 ' HB2' HD12 ' A' ' 136' ' ' LEU . 2.9 tp10 -136.62 117.22 13.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.562 HD23 ' HB1' ' A' ' 106' ' ' ALA . 8.2 mp -87.11 156.74 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.69 -55.71 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.5 p -125.11 164.98 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.29 -41.87 89.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -45.6 -46.15 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.562 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -58.11 -29.73 65.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.59 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -74.74 -60.86 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 90.9 mt -41.66 -47.79 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 63.6 m -68.62 -38.7 80.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.532 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 12.1 ttt -55.21 -66.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.8 HG21 ' CE1' ' A' ' 130' ' ' TYR . 84.8 t -40.75 -59.25 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.6 m-80 -37.6 -60.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -40.17 -43.37 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.556 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 29.4 m-85 -80.84 -31.15 35.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 112' ' ' ASN . 9.4 t -44.95 -33.03 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.74 -36.17 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.0 t -96.74 132.32 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.554 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 18.7 m -102.14 104.93 39.75 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.556 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.5 Cg_endo -76.49 164.4 30.68 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.607 2.205 . . . . 0.0 112.385 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.554 ' CE1' ' O ' ' A' ' 118' ' ' THR . 12.7 m80 -150.95 125.2 9.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.754 HD12 HG21 ' A' ' 126' ' ' ILE . 27.1 mt -104.63 130.85 52.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 55.4 44.1 27.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.807 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 17.2 m120 62.25 30.57 17.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 121' ' ' LEU . 67.0 mt-30 -139.06 148.53 57.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.48 142.27 26.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.242 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.754 HG21 HD12 ' A' ' 121' ' ' LEU . 27.1 pt -119.71 149.36 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.582 ' O ' HG23 ' A' ' 63' ' ' ILE . 10.6 m-30 -100.45 135.78 41.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.524 HD13 ' CE2' ' A' ' 114' ' ' TYR . 68.9 mt -142.69 121.72 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.147 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -155.63 171.24 20.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.8 ' CE1' HG21 ' A' ' 111' ' ' VAL . 4.4 m-85 -67.56 172.02 5.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.949 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 53.6 m -121.04 156.12 32.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -82.59 -40.61 20.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -69.83 121.01 16.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -52.76 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -103.15 151.28 22.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.953 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.702 HD13 ' HB3' ' A' ' 87' ' ' ASN . 6.5 tt -70.98 89.64 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -46.25 112.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.808 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.8 t -134.36 -40.72 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.5 t -144.7 151.85 39.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 169.48 144.04 4.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.414 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -79.42 127.58 7.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.309 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.6 t -62.16 -41.8 98.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 41.5 t -134.98 -42.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.2 p -143.52 162.9 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 t -141.74 140.55 33.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.59 103.06 1.2 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 92.6 p -131.41 43.16 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.5 p -91.99 149.81 21.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.44 -159.02 30.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.417 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.33 136.62 48.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -119.74 88.94 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.7 mtp -57.78 -53.07 62.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -54.54 -62.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.43 ' C ' ' HD3' ' A' ' 57' ' ' PRO . . . 75.0 78.08 0.65 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.431 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.29 63.75 9.87 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.569 0.699 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HD3' ' C ' ' A' ' 55' ' ' GLY . 61.8 Cg_endo -76.15 160.92 35.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.306 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.3 t -118.56 140.92 49.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.3 ptt-85 -64.78 -13.27 54.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.5 t -108.52 149.25 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.495 HD21 ' HB1' ' A' ' 107' ' ' ALA . 36.3 mt -123.17 139.58 53.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.497 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 7.2 t-80 -99.82 119.4 38.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.784 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.405 HG21 HD21 ' A' ' 66' ' ' LEU . 67.9 mt -114.94 144.2 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.497 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -138.16 173.68 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mttt 57.66 51.19 9.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 97' ' ' ALA . 56.3 mt -85.95 142.97 36.9 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.582 0.706 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -47.02 149.78 3.2 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.667 2.245 . . . . 0.0 112.297 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.91 142.06 47.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.418 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 42.25 45.66 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.2 p -84.88 142.57 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.049 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 72' ' ' GLU . 37.6 p -98.66 135.0 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 71' ' ' THR . 10.8 mt-10 -35.69 -39.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -37.73 -46.42 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -54.3 -67.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.3 t -51.58 -42.35 29.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 85.0 mt -57.62 -54.3 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.6 -20.36 55.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.468 HD11 HD21 ' A' ' 121' ' ' LEU . 72.3 mt -89.71 -11.73 41.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.34 -14.46 13.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.562 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.8 mt -69.56 -41.81 17.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.637 0.732 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.9 Cg_exo -47.94 -37.69 29.83 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.466 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 51.1 m-85 -81.52 -50.87 8.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.27 -124.11 0.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.529 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -134.55 142.0 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.788 0.328 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.2 t -95.88 106.87 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.7 p -97.57 -40.45 8.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -128.47 129.24 45.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.8 tt -141.01 152.09 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.5 tp -144.64 119.08 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 16.1 ttm -120.98 135.13 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 96' ' ' GLN . 15.9 mt -89.61 131.02 35.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -85.42 -36.15 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.55 -0.74 78.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.539 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -132.9 -179.29 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.28 36.25 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.458 ' HB2' HD12 ' A' ' 91' ' ' LEU . 45.3 mt-30 -125.07 161.64 26.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.515 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -165.96 131.58 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -99.35 138.68 36.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.2 tp -118.63 152.53 35.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -144.07 107.32 4.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.1 mp -83.08 167.2 18.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.0 -52.29 3.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.7 p -138.3 143.41 39.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -48.97 -34.73 13.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -39.03 -51.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.61 -45.06 80.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.495 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -47.72 -43.83 27.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.6 -48.2 89.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 42.0 m -64.43 -34.06 77.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.466 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 15.5 ttt -60.06 -51.95 67.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 130' ' ' TYR . 38.8 t -61.04 -45.4 98.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -51.44 -53.85 32.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -51.33 -40.78 59.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.562 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 17.2 m-85 -76.72 -26.76 55.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.9 m -52.92 -34.55 55.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.85 -43.38 6.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.1 t -94.54 131.59 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.4 m -101.21 105.12 37.43 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.543 0.687 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.562 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.4 Cg_endo -76.25 162.75 33.54 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.405 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -152.12 126.11 9.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.795 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.484 HD12 HG21 ' A' ' 126' ' ' ILE . 32.6 mt -101.6 143.33 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 40.12 46.49 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 59.34 49.59 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 125' ' ' PRO . 10.4 tt0 -160.03 141.74 9.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.553 0.692 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 124' ' ' GLN . 60.1 Cg_endo -74.18 148.98 40.1 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.666 2.244 . . . . 0.0 112.305 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.484 HG21 HD12 ' A' ' 121' ' ' LEU . 43.5 pt -121.39 153.93 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 64' ' ' ARG . 5.7 m-30 -101.53 126.41 48.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 38.4 mt -131.57 126.88 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -157.79 156.68 31.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.599 ' CE1' HG21 ' A' ' 111' ' ' VAL . 5.6 m-85 -58.12 131.99 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.8 p -67.81 138.37 56.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -122.28 -18.55 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -142.69 174.63 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.76 25.48 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -45.95 133.74 8.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.77 -46.76 89.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -87.79 -59.86 2.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 138' ' ' THR . 9.3 m 70.49 44.34 0.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.6 t -120.17 153.39 36.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 117.07 83.76 1.0 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.412 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.16 131.23 11.72 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.5 m -88.76 130.18 35.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 11.0 t -120.66 161.3 21.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.449 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.2 p 38.61 43.33 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 0.0 110.891 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.2 p -76.44 178.15 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.83 64.83 1.35 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.522 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.0 p -65.3 172.27 3.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.1 t -107.01 87.36 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.92 108.38 0.62 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.96 104.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.876 0.37 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -50.87 179.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.486 ' O ' ' N ' ' A' ' 55' ' ' GLY . 5.7 ttt -157.95 122.79 4.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.5 81.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 53' ' ' MET . . . -75.88 -114.63 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -130.05 77.36 76.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.616 0.722 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.627 ' CB ' HD11 ' A' ' 108' ' ' ILE . 71.1 Cg_exo -45.65 137.3 12.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.625 2.217 . . . . 0.0 112.321 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 m -87.39 119.2 27.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -57.35 -48.97 77.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.419 ' CG2' ' OE1' ' A' ' 100' ' ' GLU . 83.8 t -87.49 122.6 39.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.668 HD21 ' HB1' ' A' ' 107' ' ' ALA . 41.0 mt -94.9 146.13 24.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.627 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 9.4 t-160 -98.33 128.42 44.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.679 HG23 ' O ' ' A' ' 127' ' ' TYR . 73.3 mt -125.99 134.59 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.627 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -130.23 -177.64 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 16.5 mmtp 53.62 50.87 16.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.504 HD11 ' CB ' ' A' ' 97' ' ' ALA . 48.2 mt -82.35 141.36 45.82 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.569 0.7 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.408 ' HD3' HG22 ' A' ' 126' ' ' ILE . 73.4 Cg_exo -47.44 161.58 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.63 108.46 2.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 73.8 46.55 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.93 0.395 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 p -84.06 150.16 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.1 p -98.61 161.11 13.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.99 -42.18 81.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.459 ' HA ' HD12 ' A' ' 76' ' ' ILE . 71.9 m -43.34 -36.42 1.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.199 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.792 ' OE1' HD22 ' A' ' 121' ' ' LEU . 36.8 mt-10 -62.23 -62.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.5 t -54.66 -39.94 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 73' ' ' THR . 35.3 mt -62.29 -51.28 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.86 -16.47 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 80.7 mt -93.11 -20.0 20.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -103.83 -10.5 34.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.426 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 23.8 mt -71.13 -41.83 11.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.729 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.3 Cg_exo -48.1 -31.16 15.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.604 2.203 . . . . 0.0 112.382 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.456 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 59.7 m-85 -96.94 -46.48 6.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.73 158.03 29.53 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' A' ' 85' ' ' VAL . 5.7 tmtt? -66.44 142.83 57.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.441 ' N ' ' HD3' ' A' ' 84' ' ' LYS . 79.3 t -93.87 109.26 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.1 p -86.82 -44.99 11.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.682 ' HB3' HD23 ' A' ' 136' ' ' LEU . 65.9 m-80 -131.0 137.49 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.9 tt -142.03 141.11 29.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.4 tp -133.85 121.14 21.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.9 ttm -120.75 113.99 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.559 HD12 ' HB2' ' A' ' 96' ' ' GLN . 38.4 mt -77.09 120.42 22.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -49.89 51.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.97 -47.99 35.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HE2' ' N ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -87.59 150.07 23.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.87 42.36 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.559 ' HB2' HD12 ' A' ' 91' ' ' LEU . 88.1 mt-30 -127.56 153.33 46.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.504 ' CB ' HD11 ' A' ' 66' ' ' LEU . . . -151.05 132.58 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -103.61 121.05 42.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.0 tp -109.16 143.68 38.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.419 ' OE1' ' CG2' ' A' ' 60' ' ' VAL . 28.8 tt0 -131.33 130.86 43.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 101' ' ' LEU . 6.5 mp -106.92 167.95 9.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.59 -56.29 14.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.9 p -113.38 162.95 15.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -74.61 -23.05 58.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 108' ' ' ILE . 33.7 mm-40 -67.66 -41.45 83.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.2 -32.89 64.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.668 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -76.02 -41.01 52.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.627 HD11 ' CB ' ' A' ' 57' ' ' PRO . 65.2 mt -58.13 -65.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.3 m -52.63 -34.89 53.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.456 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 13.5 ttt -62.1 -48.57 79.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 107' ' ' ALA . 99.7 t -63.58 -36.4 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.109 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.16 -55.53 24.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -45.51 -36.52 4.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.422 ' CE1' ' HG3' ' A' ' 119' ' ' PRO . 12.0 m-85 -85.13 -37.33 20.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 65.1 m -39.27 -32.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.33 -39.61 6.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 76.2 t -92.33 132.16 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.4 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 13.9 m -103.53 102.44 29.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.728 . . . . 0.0 111.187 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.487 ' C ' ' CG ' ' A' ' 120' ' ' HIS . 62.4 Cg_endo -78.33 174.06 12.94 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.487 ' CG ' ' C ' ' A' ' 119' ' ' PRO . 13.0 m-70 -160.17 120.64 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.792 HD22 ' OE1' ' A' ' 74' ' ' GLU . 27.5 mt -101.13 137.4 39.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? 49.06 42.41 20.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 62.0 40.68 12.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -150.16 144.77 17.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.82 144.1 24.16 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.591 HG21 HD12 ' A' ' 121' ' ' LEU . 22.1 pt -118.88 154.38 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.679 ' O ' HG23 ' A' ' 63' ' ' ILE . 4.0 m-30 -105.16 130.92 53.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 62.5 mt -135.7 126.71 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -164.3 -179.67 6.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -72.73 157.3 37.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 t -114.53 -27.29 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 59.29 41.82 19.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' A' ' 134' ' ' LYS . 21.1 m80 -123.39 -30.6 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 133' ' ' HIS . 0.0 OUTLIER 30.39 41.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 133' ' ' HIS . 9.5 tp10 -171.52 132.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.682 HD23 ' HB3' ' A' ' 87' ' ' ASN . 44.1 tp -128.84 153.89 46.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -51.73 173.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.955 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 138' ' ' THR . 21.1 m 67.08 44.71 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 140' ' ' GLY . 2.1 t 43.38 39.99 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 139' ' ' SER . . . -34.07 97.22 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.441 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 139' ' ' SER . 70.9 Cg_exo -45.83 167.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.642 2.228 . . . . 0.0 112.38 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.7 m -161.17 163.03 31.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 15.0 t -142.34 114.15 8.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.3 p -44.65 139.55 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 110.839 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.5 m -114.53 105.57 13.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.18 80.65 1.37 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.1 p -104.99 137.95 41.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.4 m -88.69 145.26 25.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.27 95.54 1.18 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -135.28 143.65 46.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt 53.26 42.25 32.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.5 tpt -122.88 102.17 7.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.51 149.66 2.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.17 -92.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.79 73.0 72.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.548 0.689 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.02 -176.45 3.2 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.662 2.242 . . . . 0.0 112.324 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.8 m -129.0 163.53 25.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -95.14 -25.52 16.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.3 t -92.57 125.42 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.644 HD21 ' HB1' ' A' ' 107' ' ' ALA . 45.9 mt -103.64 139.49 38.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.49 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 9.6 t-80 -99.36 121.82 41.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 127' ' ' TYR . 25.2 mt -118.36 142.77 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.49 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -141.53 173.36 11.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.534 ' HD3' ' CE1' ' A' ' 127' ' ' TYR . 11.5 mtpt 61.44 42.31 11.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt -76.86 143.57 71.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.612 0.72 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.87 160.24 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.33 128.21 8.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.444 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 57.76 45.12 19.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.6 148.29 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.3 p -98.08 133.76 42.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -41.98 -45.58 3.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 m -38.61 -41.95 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.672 ' OE1' HD22 ' A' ' 121' ' ' LEU . 35.9 mt-10 -56.26 -57.65 11.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.9 t -60.77 -45.5 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.38 -62.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.447 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -56.4 -17.29 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.709 HD11 HD21 ' A' ' 121' ' ' LEU . 33.5 mt -89.77 -20.19 23.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.3 0.77 35.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.453 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.1 mt -78.84 -41.86 1.74 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 67.2 Cg_exo -48.04 -29.34 11.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.291 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.519 ' CZ ' ' HA ' ' A' ' 110' ' ' MET . 55.9 m-85 -92.58 -49.99 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -162.08 172.33 38.19 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.92 132.61 37.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 23.7 t -80.83 127.57 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.155 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.0 p -114.84 -42.19 3.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -128.75 126.83 40.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.41 HD12 ' CD1' ' A' ' 99' ' ' LEU . 13.3 tt -141.56 144.16 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 tp -135.67 107.09 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.449 ' HA ' ' CB ' ' A' ' 97' ' ' ALA . 31.7 ttm -111.2 128.17 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.612 HD12 ' HG3' ' A' ' 96' ' ' GLN . 45.5 mt -88.41 117.23 27.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -65.04 -51.99 58.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.33 26.6 3.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -153.03 164.09 38.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 0.0 110.894 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -106.67 49.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.612 ' HG3' HD12 ' A' ' 91' ' ' LEU . 1.8 pt20 -151.09 151.45 32.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.449 ' CB ' ' HA ' ' A' ' 90' ' ' MET . . . -158.15 145.43 18.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -106.48 124.35 49.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.41 ' CD1' HD12 ' A' ' 88' ' ' ILE . 15.9 tp -109.05 141.08 41.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -130.14 105.89 8.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 101' ' ' LEU . 6.8 mp -75.37 162.56 28.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -36.33 -59.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.8 p -129.59 163.65 25.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -64.5 -22.78 67.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -58.28 -37.6 75.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.92 -40.18 54.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.644 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -62.01 -50.38 72.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 97.2 mt -51.66 -50.73 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.1 m -60.79 -44.89 96.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.519 ' HA ' ' CZ ' ' A' ' 82' ' ' PHE . 11.5 ttt -47.43 -61.74 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.7 t -56.39 -39.07 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 115' ' ' SER . 26.0 m120 -58.83 -57.29 13.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -43.64 -45.41 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.42 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 34.9 m-85 -71.44 -27.61 63.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 112' ' ' ASN . 6.0 t -38.73 -31.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -110.4 -37.59 5.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.5 t -93.14 134.73 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.616 HG22 ' CE1' ' A' ' 120' ' ' HIS . 11.4 m -100.99 107.64 50.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.71 . . . . 0.0 111.057 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.42 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.6 Cg_endo -77.28 144.95 23.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.616 ' CE1' HG22 ' A' ' 118' ' ' THR . 30.6 m-70 -145.24 121.95 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.709 HD21 HD11 ' A' ' 78' ' ' LEU . 22.3 mt -101.51 136.27 41.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 54.99 30.45 14.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 45.7 t30 73.08 35.17 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -145.8 144.56 22.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.9 147.3 30.51 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.619 2.212 . . . . 0.0 112.356 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 13.4 pt -115.99 157.39 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.534 ' CE1' ' HD3' ' A' ' 65' ' ' LYS . 4.7 m-30 -101.49 130.16 47.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.1 mt -135.17 133.87 52.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 33.4 tp60 -165.27 146.3 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.404 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 3.2 m-85 -53.41 165.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.11 140.75 52.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -122.73 -31.45 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 134' ' ' LYS . 26.5 m-70 -117.05 -175.03 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 133' ' ' HIS . 30.0 mttm 34.4 36.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 133' ' ' HIS . 13.3 pt-20 -68.33 154.59 41.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 136' ' ' LEU . 4.1 mm? -69.33 93.49 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -127.94 152.64 47.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 38.0 p -119.03 -49.16 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.0 m -68.22 -52.55 32.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 137.92 -159.66 25.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -45.63 161.12 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.296 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.9 m -131.14 147.4 52.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.792 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.9 m -166.3 145.18 5.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.5 m -103.75 172.53 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.5 p -147.34 177.0 9.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.67 97.36 0.19 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.2 p -153.56 145.12 23.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.9 0.381 . . . . 0.0 110.821 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.0 m -147.59 153.39 39.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.78 107.49 0.89 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.6 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -58.99 176.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -105.81 95.72 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -152.77 168.23 26.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -133.86 118.34 17.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -100.77 -100.92 2.42 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.63 71.11 58.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.542 0.687 . . . . 0.0 111.089 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -46.06 153.04 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.5 t -124.53 152.04 43.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -76.11 -30.48 58.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.661 HG22 ' HB2' ' A' ' 100' ' ' GLU . 43.1 t -95.05 137.29 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.9 mt -114.91 143.37 45.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 24.9 t-80 -103.16 136.67 42.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.822 HG23 ' O ' ' A' ' 127' ' ' TYR . 16.0 mt -128.16 140.42 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.061 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -130.28 177.27 7.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.532 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 29.9 mmtm 57.82 41.88 24.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 86.6 mt -70.3 141.32 88.46 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.634 0.731 . . . . 0.0 110.946 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.5 148.31 5.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.2 113.25 5.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 66.42 47.14 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 p -81.61 148.73 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.2 p -103.59 145.14 30.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -46.51 -46.7 19.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 92.4 m -41.5 -36.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.96 -67.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.0 t -53.91 -39.64 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.403 HG23 HG21 ' A' ' 85' ' ' VAL . 93.6 mt -60.94 -53.25 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -57.03 -15.67 5.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.944 HD11 HD21 ' A' ' 121' ' ' LEU . 38.4 mt -94.78 -17.86 21.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.88 -4.45 48.41 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.476 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.1 mt -76.56 -41.78 2.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.3 Cg_exo -47.99 -36.37 27.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.27 . . . . 0.0 112.364 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.556 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 48.9 m-85 -82.03 -50.78 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -157.39 -147.94 4.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -112.96 137.5 51.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.403 HG21 HG23 ' A' ' 76' ' ' ILE . 84.7 t -80.68 125.04 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.158 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.3 p -106.6 -32.95 7.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.446 ' HB3' HD13 ' A' ' 136' ' ' LEU . 74.7 m-20 -152.14 133.17 14.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.422 HG12 ' N ' ' A' ' 89' ' ' LEU . 9.3 tt -137.32 151.96 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.422 ' N ' HG12 ' A' ' 88' ' ' ILE . 52.9 tp -136.78 121.07 18.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 37.2 tpp -115.13 106.28 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.2 mt -88.55 94.06 9.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -70.55 75.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -170.25 -67.96 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -93.59 27.63 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.16 46.4 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -129.15 148.64 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -152.1 161.08 43.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.466 ' CZ ' ' CD2' ' A' ' 62' ' ' HIS . 71.2 m-85 -131.68 125.21 31.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.9 tp -109.41 143.84 38.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.661 ' HB2' HG22 ' A' ' 60' ' ' VAL . 15.5 tt0 -132.97 115.42 15.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.488 HD23 ' HB1' ' A' ' 106' ' ' ALA . 7.4 mp -87.03 155.07 20.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.84 -49.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.8 p -133.66 155.76 49.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -63.02 -17.87 62.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.85 -49.44 76.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.488 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -65.28 -24.52 67.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.46 -56.82 4.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.1 mt -50.06 -49.14 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.3 m -59.91 -46.35 89.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.556 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 9.0 ttt -46.03 -60.79 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.2 t -55.47 -46.6 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -48.23 -49.42 33.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -57.62 -28.7 63.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 17.3 m-85 -83.64 -31.35 26.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.5 t -41.29 -38.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.39 -43.14 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 86.1 t -85.87 134.01 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.543 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 18.6 m -102.93 105.74 46.9 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.608 0.718 . . . . 0.0 111.13 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.55 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.2 Cg_endo -78.41 147.71 23.0 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' A' ' 118' ' ' THR . 1.9 m80 -141.88 115.91 9.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.944 HD21 HD11 ' A' ' 78' ' ' LEU . 25.5 mt -90.29 146.04 24.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 11.3 mmm-85 43.38 39.86 2.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 62.8 48.29 4.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -165.51 133.51 2.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.744 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.8 165.93 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.632 HG21 HD12 ' A' ' 121' ' ' LEU . 49.1 pt -144.41 153.7 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.822 ' O ' HG23 ' A' ' 63' ' ' ILE . 11.0 m-30 -97.72 124.8 42.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.524 HD11 ' CD1' ' A' ' 126' ' ' ILE . 60.8 mt -133.92 126.49 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -161.38 179.14 8.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -78.14 147.7 34.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.1 p -76.56 150.87 36.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -77.25 -41.8 39.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -79.51 140.38 37.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -50.12 69.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -105.14 147.99 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.446 HD13 ' HB3' ' A' ' 87' ' ' ASN . 3.3 tt -56.42 -64.19 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -73.36 104.48 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 26.4 m -57.22 134.59 56.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 72.4 p -90.98 119.46 31.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.46 -146.28 10.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.549 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.54 132.45 12.79 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.7 2.267 . . . . 0.0 112.349 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 75.5 m -106.06 164.12 12.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 61.8 p -172.48 171.97 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.437 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 t -112.27 145.41 40.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.826 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 m -89.39 -56.72 3.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.19 -115.4 7.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -158.55 114.6 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -137.71 139.42 40.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.46 44.87 0.19 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -146.02 143.34 29.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -148.54 161.6 41.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.4 mtt -148.56 154.47 39.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -134.02 124.3 26.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.407 ' C ' ' HD3' ' A' ' 57' ' ' PRO . . . -163.11 -96.89 0.11 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.553 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -114.14 76.11 3.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.513 0.673 . . . . 0.0 111.07 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.407 ' HD3' ' C ' ' A' ' 55' ' ' GLY . 71.6 Cg_exo -45.23 101.93 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.9 t -70.35 155.34 40.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -87.18 32.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.452 ' O ' HD23 ' A' ' 61' ' ' LEU . 59.6 t -136.49 146.44 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 60' ' ' VAL . 72.3 mt -129.02 119.59 24.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.615 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 9.6 t-80 -92.74 137.21 32.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 127' ' ' TYR . 38.1 mt -129.91 138.84 53.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.615 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -125.04 -176.49 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 44.1 mmtm 48.42 46.21 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.571 HD11 ' CB ' ' A' ' 97' ' ' ALA . 76.4 mt -68.5 140.0 92.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.72 142.57 14.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.5 120.77 17.69 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 57.54 54.58 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 71' ' ' THR . 9.7 p -89.94 158.48 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.422 ' N ' HG22 ' A' ' 70' ' ' VAL . 57.9 p -116.32 146.11 42.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.137 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -47.03 -39.24 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 86.6 m -45.15 -31.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.95 -59.83 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.2 t -59.14 -32.28 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 74.0 mt -71.04 -59.57 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.85 -15.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.539 HD11 HD21 ' A' ' 121' ' ' LEU . 48.5 mt -97.97 -23.45 15.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -95.11 -14.72 47.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.634 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.7 mt -68.58 -41.86 24.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.4 Cg_exo -47.98 -36.12 26.79 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.701 2.267 . . . . 0.0 112.311 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 93.2 m-85 -90.81 -50.31 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.11 172.91 36.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 43.6 tptt -76.04 148.8 37.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 0.0 110.849 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.63 HG22 HD11 ' A' ' 99' ' ' LEU . 73.7 t -96.11 116.67 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.8 p -99.11 -44.88 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -127.91 137.17 52.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.7 tt -143.66 144.17 23.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.1 tp -132.78 112.37 11.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 38.6 tpp -114.18 115.85 28.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' ' 96' ' ' GLN . 35.4 mt -84.04 127.43 33.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 92' ' ' LYS . 10.7 mptt -69.91 -55.99 8.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.94 -91.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.538 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -58.02 152.97 15.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -86.63 69.16 10.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.477 ' HB2' HD12 ' A' ' 91' ' ' LEU . 22.8 mt-30 -142.32 146.48 35.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.571 ' CB ' HD11 ' A' ' 66' ' ' LEU . . . -153.62 139.12 17.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 134' ' ' LYS . 90.3 m-85 -109.92 126.11 53.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.63 HD11 HG22 ' A' ' 85' ' ' VAL . 39.1 tp -111.18 150.09 30.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -138.53 131.41 29.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.522 HD23 ' HB1' ' A' ' 106' ' ' ALA . 7.3 mp -101.76 157.63 16.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -37.08 -56.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.7 p -127.98 157.82 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -60.41 -31.43 70.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.01 -41.5 64.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.522 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -67.12 -46.78 73.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.442 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -60.32 -56.62 19.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.0 mt -43.25 -52.83 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.9 m -58.64 -44.66 90.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.468 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 19.3 ttt -51.64 -67.41 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.758 HG21 ' CE1' ' A' ' 130' ' ' TYR . 84.8 t -40.44 -60.11 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.8 m-80 -42.72 -61.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 112' ' ' ASN . 70.3 t80 -36.76 -35.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.517 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 43.1 m-85 -90.91 -34.52 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 112' ' ' ASN . 11.4 t -38.3 -38.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.81 -39.76 7.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.2 t -93.4 130.06 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.466 HG22 ' CE1' ' A' ' 120' ' ' HIS . 88.7 m -100.21 104.82 32.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.646 0.736 . . . . 0.0 111.174 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.517 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.4 Cg_endo -75.74 175.61 11.07 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.388 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 69.5 m80 -160.89 119.97 2.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.679 HD12 HG21 ' A' ' 126' ' ' ILE . 21.1 mt -100.79 133.32 45.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 46.9 43.17 13.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 62.53 42.76 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.434 ' CD ' ' HD2' ' A' ' 125' ' ' PRO . 13.7 tp60 -151.21 139.39 12.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.434 ' HD2' ' CD ' ' A' ' 124' ' ' GLN . 61.0 Cg_endo -75.16 145.85 31.41 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.679 HG21 HD12 ' A' ' 121' ' ' LEU . 45.7 pt -119.2 156.44 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.898 ' O ' HG23 ' A' ' 63' ' ' ILE . 9.3 m-30 -105.21 134.37 48.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.489 HD13 ' CD2' ' A' ' 114' ' ' TYR . 45.0 mt -134.6 121.22 34.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -153.44 160.83 42.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.758 ' CE1' HG21 ' A' ' 111' ' ' VAL . 2.9 m-85 -72.57 161.96 30.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 86.8 p -96.96 132.98 42.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -109.71 -48.55 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -114.56 -42.26 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 42.4 mmtt -80.77 50.12 1.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.54 132.37 34.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 17.8 mt -63.81 148.75 48.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -167.73 134.2 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.13 130.0 41.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 37.1 m -148.44 153.21 38.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 151.25 100.23 0.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.54 47.17 1.57 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.384 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 22.6 m 59.08 47.33 12.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 18.7 t -122.46 125.17 45.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.777 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t 54.93 42.24 31.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 110.872 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.1 t -117.52 -45.74 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.5 164.1 38.0 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.1 m -120.45 -47.85 2.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.364 . . . . 0.0 110.821 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.7 p -67.53 90.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -170.38 48.84 0.2 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -151.72 163.07 39.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -111.8 99.43 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.2 mmm -111.7 99.25 8.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -127.11 88.07 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.68 -76.35 0.44 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.502 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -125.18 81.39 63.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.602 0.715 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -48.68 -176.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.744 2.296 . . . . 0.0 112.296 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.2 t -163.13 143.87 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.1 ptt-85 -62.85 -33.16 74.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.5 HG21 HD23 ' A' ' 136' ' ' LEU . 38.8 t -90.47 133.26 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.1 mt -115.74 152.11 33.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.583 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 8.7 t-80 -111.28 128.1 55.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 127' ' ' TYR . 11.1 mt -121.06 144.4 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.583 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -139.73 -179.7 6.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 1.5 mmmp? 60.6 27.28 16.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.9 mt -74.97 143.73 78.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.551 0.691 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -47.07 158.82 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.391 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.33 135.06 23.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 46.03 45.75 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.378 . . . . 0.0 110.93 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -78.67 146.6 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.1 p -86.74 158.96 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' GLU . 49.8 mt-10 -65.05 -48.4 73.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' GLU . 96.6 m -35.66 -33.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.787 ' OE2' HD22 ' A' ' 121' ' ' LEU . 4.0 mm-40 -65.74 -59.06 4.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.422 ' HA ' HD12 ' A' ' 78' ' ' LEU . 10.7 t -66.58 -26.2 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.631 HG22 ' CD1' ' A' ' 80' ' ' LEU . 81.9 mt -73.15 -49.44 38.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.1 -12.45 55.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.617 HD11 HD11 ' A' ' 121' ' ' LEU . 41.4 mt -91.66 -29.09 17.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.95 -9.82 47.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.644 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.7 mt -77.99 -41.74 2.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.973 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.2 Cg_exo -48.06 -30.29 13.86 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.626 2.217 . . . . 0.0 112.348 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.497 ' CE2' ' HG2' ' A' ' 110' ' ' MET . 73.0 m-85 -88.07 -48.98 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -151.03 -144.74 3.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 36.5 tptt -113.84 147.83 37.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.435 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 18.0 t -101.57 127.95 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.144 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.8 p -112.44 -39.1 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -139.82 139.51 36.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.1 tt -140.16 143.74 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.614 ' HB2' HD11 ' A' ' 136' ' ' LEU . 9.8 tp -125.64 115.85 20.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.469 ' HG2' ' CB ' ' A' ' 97' ' ' ALA . 20.7 mtp -124.08 123.93 41.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.913 HD12 ' HB2' ' A' ' 96' ' ' GLN . 31.2 mt -72.32 130.91 41.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -79.59 55.42 1.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.98 -80.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.538 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -56.9 147.83 22.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -77.15 66.12 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.913 ' HB2' HD12 ' A' ' 91' ' ' LEU . 31.5 mt-30 -149.17 141.9 24.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 90' ' ' MET . . . -163.37 136.85 5.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.599 ' CD1' HD23 ' A' ' 89' ' ' LEU . 21.7 m-85 -102.34 156.71 17.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.4 tp -128.8 142.35 51.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -131.82 109.99 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.15 168.82 10.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.18 -55.43 35.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 58.6 p -112.61 127.58 56.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.168 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -48.3 -34.77 11.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -47.09 -52.35 15.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.5 -49.85 63.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.92 49.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 96.2 mt -54.61 -49.42 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.9 m -58.52 -42.69 88.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.189 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.497 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -52.44 -53.79 40.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.843 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.7 t -59.34 -41.09 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -61.58 -57.42 12.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -49.18 -39.89 31.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -78.72 -21.38 48.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.4 t -46.35 -38.25 8.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.5 -42.16 9.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.5 t -94.1 123.45 46.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 33.4 m -100.0 104.79 31.16 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.603 0.716 . . . . 0.0 111.094 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.508 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 60.8 Cg_endo -74.55 174.87 11.87 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 20.0 m-70 -161.1 118.14 2.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.787 HD22 ' OE2' ' A' ' 74' ' ' GLU . 22.5 mt -101.16 143.54 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 58.47 28.62 17.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 39.0 t30 70.78 31.32 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -147.33 149.93 36.15 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.642 0.734 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.56 144.07 31.46 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.682 2.255 . . . . 0.0 112.361 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.7 pt -108.12 163.69 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.619 ' O ' HG23 ' A' ' 63' ' ' ILE . 7.4 m-30 -109.24 132.01 54.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.5 mt -131.14 132.35 63.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 3.2 tp-100 -163.34 150.17 12.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.45 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 21.0 m-85 -63.82 162.28 13.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.8 m -112.76 172.36 6.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -95.97 -64.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -121.79 -72.74 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.535 ' HG2' ' CD2' ' A' ' 98' ' ' PHE . 0.5 OUTLIER 38.95 47.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -61.96 87.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.614 HD11 ' HB2' ' A' ' 89' ' ' LEU . 4.4 mm? -45.36 -51.46 11.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -67.16 92.15 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.977 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 9.0 t -110.25 149.15 30.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.8 p -88.62 -60.41 1.97 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -60.36 149.48 42.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.04 40.99 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.384 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 t -71.85 159.01 35.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -73.51 103.56 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.2 p -123.82 99.71 6.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -47.46 141.26 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 170.76 59.66 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.422 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.1 m -146.77 156.81 43.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 m -52.49 148.88 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.11 74.59 0.88 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.515 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -106.0 42.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.952 0.406 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -89.22 147.14 24.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -166.91 141.14 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -86.05 -52.86 5.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.82 83.16 1.34 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -172.88 105.01 0.32 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.692 . . . . 0.0 111.085 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -47.35 166.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 m -130.12 148.52 51.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.417 ' CG ' ' HB2' ' A' ' 104' ' ' GLU . 58.9 mtp180 -77.93 -36.3 49.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 100' ' ' GLU . 94.1 t -84.71 142.22 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.628 HD21 ' HB1' ' A' ' 107' ' ' ALA . 47.6 mt -116.97 135.1 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.53 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 12.3 t-80 -93.87 126.97 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.4 mt -124.09 139.96 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.53 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -136.29 176.68 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm 60.76 39.68 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.628 HD11 ' HB3' ' A' ' 97' ' ' ALA . 60.4 mt -75.08 138.6 72.46 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.648 0.737 . . . . 0.0 110.937 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -48.01 170.38 0.06 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.73 2.287 . . . . 0.0 112.337 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.16 134.63 12.88 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 54.62 43.98 29.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 p -87.42 141.17 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 72' ' ' GLU . 62.5 p -97.65 132.14 43.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.103 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' THR . 13.7 mp0 -37.43 -37.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.806 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.3 m -37.89 -50.53 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.14 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.415 HG12 HD13 ' A' ' 99' ' ' LEU . 82.5 t -48.81 -27.48 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.187 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 80.4 mt -75.49 -57.03 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.85 -12.77 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.404 HD11 HD21 ' A' ' 121' ' ' LEU . 95.6 mt -91.23 -27.71 18.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -100.17 -6.11 53.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.543 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 27.8 mt -78.36 -41.89 1.96 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.85 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.1 Cg_exo -47.95 -26.12 7.07 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -97.03 -48.38 5.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.44 -138.95 3.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -128.14 135.51 49.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.9 t -88.66 124.28 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 p -107.92 -39.26 5.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -132.59 130.94 40.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.449 HG12 ' N ' ' A' ' 89' ' ' LEU . 2.9 tt -142.3 147.52 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.449 ' N ' HG12 ' A' ' 88' ' ' ILE . 12.0 tp -138.3 123.5 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.3 ttm -121.24 119.25 31.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 96' ' ' GLN . 74.4 mt -80.79 116.24 20.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -55.88 -42.05 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' LYS . . . -83.06 -106.67 0.49 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 93' ' ' GLY . 0.0 OUTLIER -36.69 140.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.908 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.33 78.36 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.494 ' HB2' HD12 ' A' ' 91' ' ' LEU . 98.4 mt-30 -154.2 145.54 22.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.628 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -153.05 134.59 14.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.592 ' HB2' HD21 ' A' ' 136' ' ' LEU . 3.1 m-85 -103.16 131.15 50.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.415 HD13 HG12 ' A' ' 75' ' ' VAL . 13.0 tp -116.71 148.19 41.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.439 ' HB2' HG22 ' A' ' 60' ' ' VAL . 3.8 tp10 -144.54 128.42 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 101' ' ' LEU . 5.6 mp -101.29 -177.12 3.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.22 95.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.7 p -126.36 178.41 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 107' ' ' ALA . 34.3 tt0 -91.42 -50.77 5.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 104' ' ' GLU . 43.1 mt-10 -35.04 -40.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.89 87.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.628 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -55.89 -60.35 3.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 81.4 mt -41.28 -38.75 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.6 m -75.76 -39.79 56.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.5 ttt -56.9 -46.32 82.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.4 t -67.42 -37.12 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.57 -48.56 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -51.22 -33.51 28.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -93.34 -25.15 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.0 t -45.47 -31.58 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.12 -32.93 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.1 t -98.53 134.22 38.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.461 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 25.5 m -102.55 103.82 34.33 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.545 0.688 . . . . 0.0 111.17 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.512 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 61.2 Cg_endo -75.31 172.54 16.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 57.8 m80 -160.6 115.78 2.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.555 HD12 HG21 ' A' ' 126' ' ' ILE . 31.5 mt -95.91 136.55 36.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 52.76 43.95 30.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 60.28 35.42 20.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.478 ' NE2' ' HD2' ' A' ' 125' ' ' PRO . 14.6 mm100 -149.01 149.2 29.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.547 0.689 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.478 ' HD2' ' NE2' ' A' ' 124' ' ' GLN . 60.1 Cg_endo -73.29 157.66 49.61 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.391 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.555 HG21 HD12 ' A' ' 121' ' ' LEU . 48.8 pt -131.85 162.64 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -106.65 126.78 52.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 42.8 mt -130.76 124.43 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.476 ' CG ' ' N ' ' A' ' 130' ' ' TYR . 38.6 tt0 -162.11 168.41 22.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.476 ' N ' ' CG ' ' A' ' 129' ' ' GLN . 3.5 m-85 -62.85 165.77 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.2 t -126.22 122.0 34.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -45.49 -49.88 13.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -56.85 130.03 44.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -74.85 -52.82 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -128.41 124.92 37.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.592 HD21 ' HB2' ' A' ' 98' ' ' PHE . 11.4 mt -50.57 158.92 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -123.3 167.44 13.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 95.4 m -143.84 116.71 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.2 m -89.19 86.99 6.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -155.35 -173.02 23.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.57 97.82 0.03 OUTLIER 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.629 2.219 . . . . 0.0 112.364 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.4 t -122.72 168.81 11.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.792 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 28.2 t -153.34 136.62 15.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 m -64.42 126.14 26.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 t -129.42 127.45 40.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.74 -178.6 24.02 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.4 m -101.65 163.59 12.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 0.0 110.839 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -155.32 118.27 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.2 -172.94 34.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.435 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 51' ' ' ASP . 2.5 p30 -148.22 160.92 42.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -53.88 118.15 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -112.8 86.67 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -99.65 125.52 45.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.802 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.436 ' C ' ' HD3' ' A' ' 57' ' ' PRO . . . -149.61 -112.61 0.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -117.56 72.56 7.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.611 0.72 . . . . 0.0 111.095 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.436 ' HD3' ' C ' ' A' ' 55' ' ' GLY . 70.9 Cg_exo -45.95 139.96 10.69 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.709 2.273 . . . . 0.0 112.314 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t -102.12 157.8 16.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -80.3 -45.23 18.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.631 HG22 ' HB2' ' A' ' 100' ' ' GLU . 58.4 t -82.98 144.89 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 mt -117.52 142.11 47.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.616 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 15.6 t-80 -97.12 130.04 44.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.647 HG23 ' O ' ' A' ' 127' ' ' TYR . 15.2 mt -124.53 144.49 34.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.616 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -133.96 174.89 9.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 2.6 mmmp? 53.15 46.13 27.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 97' ' ' ALA . 29.9 mt -73.96 139.64 76.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.462 ' HG2' HD13 ' A' ' 121' ' ' LEU . 73.8 Cg_exo -47.7 153.33 2.36 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.715 2.277 . . . . 0.0 112.296 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.36 142.43 42.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 41.8 47.1 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 p -88.04 148.72 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.7 p -109.14 148.88 30.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -45.07 -42.53 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 91.8 m -38.2 -41.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.12 -60.18 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.6 t -56.42 -37.49 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.4 mt -68.24 -46.62 80.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.45 -23.41 38.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.5 mt -89.05 -18.67 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.1 -20.4 18.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.378 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.649 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 26.1 mt -63.76 -41.93 67.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.56 0.695 . . . . 0.0 110.834 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.2 Cg_exo -47.88 -48.43 16.16 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -74.79 -43.02 56.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.65 -120.05 0.53 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -144.45 144.99 31.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.3 t -89.94 114.05 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.424 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 44.4 p -93.71 -42.69 9.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.424 ' OD1' ' C ' ' A' ' 86' ' ' THR . 5.7 m-20 -134.41 130.32 36.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 tt -129.35 156.63 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.1 tp -144.52 111.0 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.974 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.6 tpp -110.26 118.31 35.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.8 mt -101.26 136.98 40.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -104.1 85.49 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.38 -69.45 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.48 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -103.77 26.8 8.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.73 0.3 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 51.46 42.54 29.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -115.69 148.52 39.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -155.16 142.71 19.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.479 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 65.4 m-85 -112.28 128.12 56.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 tp -113.08 145.4 40.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.631 ' HB2' HG22 ' A' ' 60' ' ' VAL . 36.9 tt0 -131.35 132.94 44.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.403 HD22 ' CB ' ' A' ' 106' ' ' ALA . 7.1 mp -101.3 162.99 12.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.52 -53.5 37.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.6 p -111.42 156.86 20.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.5 -22.8 56.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.2 -47.65 83.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.403 ' CB ' HD22 ' A' ' 101' ' ' LEU . . . -52.18 -40.0 60.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.99 -59.22 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.047 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.8 mt -49.39 -52.33 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.8 m -65.05 -35.26 80.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 23.1 ttt -57.44 -59.17 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.763 HG21 ' CE1' ' A' ' 130' ' ' TYR . 86.2 t -46.08 -61.91 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -41.28 -55.37 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -39.18 -36.12 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 115' ' ' SER . 29.2 m-85 -90.67 -36.63 14.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 114' ' ' TYR . 38.5 t -35.14 -38.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.31 -44.75 6.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 87.1 t -91.61 129.57 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.442 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 90.3 m -100.42 109.88 58.41 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.591 0.71 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.434 ' C ' ' CG ' ' A' ' 120' ' ' HIS . 59.8 Cg_endo -73.7 170.22 20.53 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.301 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 118' ' ' THR . 21.8 m-70 -157.13 114.23 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.855 HD12 HG21 ' A' ' 126' ' ' ILE . 23.4 mt -91.94 135.4 33.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 47.07 40.12 9.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 41.5 t30 64.67 43.44 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -153.13 146.26 17.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.85 144.53 27.64 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.855 HG21 HD12 ' A' ' 121' ' ' LEU . 37.5 pt -119.86 167.59 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.647 ' O ' HG23 ' A' ' 63' ' ' ILE . 16.5 m-30 -111.66 134.92 52.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 58.0 mt -137.37 139.19 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -170.93 152.8 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.763 ' CE1' HG21 ' A' ' 111' ' ' VAL . 7.4 m-85 -53.05 138.97 29.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 25.8 p -63.79 166.6 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -99.08 -45.54 5.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -72.88 129.35 37.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -47.12 -58.17 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -132.99 150.11 52.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.3 mt -49.26 -44.79 44.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -168.54 119.06 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 93.4 m -64.46 100.57 0.37 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 99.2 p -49.23 157.97 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 105.03 140.89 10.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.1 -15.56 12.88 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.69 2.26 . . . . 0.0 112.391 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 72.8 p -106.06 120.08 40.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.3 m -134.75 139.38 45.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -157.07 149.1 22.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.832 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 64.0 m -104.02 143.13 33.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.48 151.12 20.6 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 t -156.4 152.25 27.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -142.52 129.67 20.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.28 99.08 0.33 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -167.43 170.59 11.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.914 0.388 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -146.58 117.68 7.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 44.2 tpp -64.76 -58.23 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -84.41 162.33 20.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.55 60.21 0.67 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.44 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.12 75.89 22.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.699 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.417 ' CB ' HD11 ' A' ' 108' ' ' ILE . 71.4 Cg_exo -45.69 106.98 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.634 2.223 . . . . 0.0 112.387 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t -91.99 152.69 19.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -83.62 19.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.51 HG22 ' HB2' ' A' ' 100' ' ' GLU . 98.2 t -131.19 122.56 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.2 mt -110.82 131.82 54.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.508 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 35.5 t-80 -90.28 144.84 25.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.774 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.814 HG23 ' O ' ' A' ' 127' ' ' TYR . 8.1 mt -140.13 135.16 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -129.77 -175.99 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.439 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 27.1 mmtp 54.05 39.49 30.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.7 mt -68.36 141.09 93.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.72 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -47.78 161.85 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.5 118.94 8.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.439 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 60.15 45.28 11.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.449 HG22 ' N ' ' A' ' 71' ' ' THR . 9.8 p -77.21 158.29 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.449 ' N ' HG22 ' A' ' 70' ' ' VAL . 70.9 p -111.09 152.05 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -54.18 -42.33 69.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 93.5 m -42.39 -34.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.169 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.06 -65.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.514 HG12 HD13 ' A' ' 99' ' ' LEU . 93.1 t -55.27 -26.14 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 88.4 mt -77.2 -48.85 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.1 -17.15 61.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.479 HD11 HD21 ' A' ' 121' ' ' LEU . 87.0 mt -90.35 -15.79 30.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.25 -12.42 19.87 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.644 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 18.0 mt -70.65 -41.86 13.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.729 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.2 Cg_exo -47.93 -40.02 32.57 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.48 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 56.8 m-85 -82.51 -50.73 8.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.61 -125.5 1.57 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.89 130.8 20.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 55.9 t -79.02 113.61 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 p -99.36 -36.87 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -133.84 128.24 34.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.412 HG12 ' N ' ' A' ' 89' ' ' LEU . 4.6 tt -135.41 151.37 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.079 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.75 ' HB2' HD11 ' A' ' 136' ' ' LEU . 61.8 tp -139.38 120.88 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.6 ttm -117.97 119.34 34.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.9 mt -85.34 114.07 22.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -62.27 137.9 58.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.41 -50.18 3.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -79.31 144.05 34.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.44 58.91 5.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -143.52 138.67 29.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -153.3 140.65 19.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.428 ' CE2' ' CD2' ' A' ' 62' ' ' HIS . 14.7 m-85 -110.69 124.14 51.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.514 HD13 HG12 ' A' ' 75' ' ' VAL . 11.0 tp -111.32 145.28 39.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.51 ' HB2' HG22 ' A' ' 60' ' ' VAL . 5.3 tt0 -135.75 128.22 30.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 101' ' ' LEU . 6.7 mp -93.6 168.55 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.87 -39.9 69.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 66.6 p -128.3 162.91 25.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.91 -25.04 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -67.59 -30.56 70.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.43 -14.77 61.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.06 -39.64 14.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.417 HD11 ' CB ' ' A' ' 57' ' ' PRO . 47.8 mt -63.12 -49.85 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.6 m -66.12 -28.25 68.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.48 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 15.5 ttt -64.65 -61.16 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.64 HG21 ' CE1' ' A' ' 130' ' ' TYR . 48.0 t -48.59 -54.44 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -39.56 -55.05 1.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -43.65 -38.16 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.545 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 32.2 m-85 -88.53 -30.69 19.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.1 t -41.32 -37.19 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.11 -38.86 6.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.54 133.49 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.539 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 21.4 m -102.71 103.19 31.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.556 0.693 . . . . 0.0 111.174 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.545 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.1 Cg_endo -75.63 173.96 13.62 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 118' ' ' THR . 43.1 m80 -160.04 118.4 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.807 HD12 HG21 ' A' ' 126' ' ' ILE . 20.6 mt -95.5 143.23 27.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 46.51 34.14 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.9 m120 67.18 46.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -163.37 132.43 2.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.23 163.08 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.807 HG21 HD12 ' A' ' 121' ' ' LEU . 23.6 pt -140.75 149.85 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.814 ' O ' HG23 ' A' ' 63' ' ' ILE . 6.3 m-30 -97.63 131.47 44.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 68.5 mt -138.38 121.6 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.414 ' HG3' ' NH1' ' A' ' 64' ' ' ARG . 26.2 mt-30 -148.03 -178.22 6.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.64 ' CE1' HG21 ' A' ' 111' ' ' VAL . 6.5 m-85 -88.83 175.83 7.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.4 t -107.41 144.8 33.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.79 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -67.8 -52.11 40.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -81.54 169.61 16.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -104.5 32.83 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -158.79 142.59 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' ' 89' ' ' LEU . 1.1 tm? -39.41 -58.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -108.89 145.95 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.799 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 72.4 p -65.88 123.98 21.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.1 t -78.91 157.48 28.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 145.73 95.74 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.51 -47.6 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.736 2.291 . . . . 0.0 112.368 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 73.4 m -123.87 154.4 39.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.4 t -117.12 51.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.828 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t 50.1 41.76 24.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.907 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.3 t -128.54 115.57 18.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.03 146.34 16.09 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.7 m -71.69 154.24 41.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.932 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.4 t -150.57 152.89 34.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.82 -134.85 5.99 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -151.93 175.81 12.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -44.82 61.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -152.39 142.71 22.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -94.26 117.53 30.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.92 -92.02 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.84 76.77 57.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.587 0.708 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -45.94 171.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 t -94.52 142.43 27.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.47 ' CG ' ' HB3' ' A' ' 104' ' ' GLU . 60.8 mtp180 -83.26 -32.63 26.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG11 HD22 ' A' ' 136' ' ' LEU . 47.7 t -89.06 137.91 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.57 HD21 ' HB1' ' A' ' 107' ' ' ALA . 30.3 mt -113.81 137.43 51.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 30.9 t-80 -93.62 140.79 29.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.538 HG21 HD21 ' A' ' 66' ' ' LEU . 75.6 mt -133.62 134.1 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -128.91 173.02 10.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 0.0 OUTLIER 55.22 49.24 17.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.538 HD21 HG21 ' A' ' 63' ' ' ILE . 41.7 mt -88.5 144.5 33.79 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.579 0.704 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -47.67 131.53 20.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.377 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.82 118.55 3.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 60.24 49.52 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.1 p -77.52 142.67 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.4 p -88.24 134.12 33.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' THR . 15.3 mt-10 -39.9 -52.22 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' GLU . 84.8 m -35.43 -40.65 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.06 -59.68 4.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.1 -45.47 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 63.5 mt -53.95 -55.54 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.504 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -53.44 -23.76 10.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.039 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.9 mt -85.69 -20.57 29.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.429 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -100.58 -21.83 12.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.433 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.631 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 24.6 mt -58.3 -41.97 92.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.581 0.705 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.2 Cg_exo -47.96 -44.45 27.53 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.548 ' CZ ' ' HA ' ' A' ' 110' ' ' MET . 24.7 m-85 -87.13 -50.47 6.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.45 164.77 31.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.429 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 85' ' ' VAL . 1.6 tmtp? -79.32 137.3 37.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.415 ' N ' ' HD3' ' A' ' 84' ' ' LYS . 97.8 t -81.19 113.36 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.0 p -99.22 -32.68 11.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -138.94 126.65 22.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.9 tt -129.78 155.86 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.4 tp -144.47 113.54 6.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 ttm -116.23 119.93 37.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 48.4 mt -82.58 97.64 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -50.79 136.84 21.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.63 -45.89 3.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.443 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -77.24 174.93 10.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -115.15 47.91 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -141.57 145.81 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -155.24 145.21 21.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -114.83 122.37 46.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.7 tp -108.94 145.74 34.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.444 ' OE1' ' C ' ' A' ' 59' ' ' ARG . 3.4 tp10 -133.07 125.3 29.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 101' ' ' LEU . 6.0 mp -94.55 160.63 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.0 -59.28 2.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.0 p -113.08 171.47 7.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.47 ' HB3' ' CG ' ' A' ' 59' ' ' ARG . 16.7 pt-20 -73.33 -47.56 41.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.686 ' HA ' HD12 ' A' ' 108' ' ' ILE . 3.3 tt0 -49.13 -42.42 39.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.403 ' C ' HD22 ' A' ' 101' ' ' LEU . . . -53.42 -43.2 67.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.57 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -69.46 -41.64 75.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 105' ' ' GLU . 81.8 mt -52.15 -59.36 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.6 m -53.51 -47.09 70.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.548 ' HA ' ' CZ ' ' A' ' 82' ' ' PHE . 24.6 ttt -44.02 -61.13 1.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.5 t -55.92 -46.35 80.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' SER . 19.8 m120 -53.46 -59.84 4.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -40.48 -44.18 1.99 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.448 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 28.1 m-85 -75.16 -34.01 61.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 114' ' ' TYR . 30.2 t -36.65 -38.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.8 -40.88 7.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.8 t -94.73 129.2 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 48.7 m -101.38 106.4 45.44 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.542 0.687 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.448 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 61.0 Cg_endo -75.48 158.68 40.21 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -144.09 112.16 6.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.858 HD12 HG21 ' A' ' 126' ' ' ILE . 20.2 mt -90.79 129.95 36.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 47.37 41.29 12.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.2 m120 59.13 44.88 15.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -153.14 105.01 2.62 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.601 0.715 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -42.47 141.2 2.34 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.775 2.317 . . . . 0.0 112.302 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.858 HG21 HD12 ' A' ' 121' ' ' LEU . 32.2 pt -116.04 162.36 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 13.2 m-30 -108.57 136.82 47.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 67.9 mt -141.67 119.19 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -155.41 156.5 35.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -60.26 151.06 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.5 t -82.45 137.6 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -52.05 -62.53 1.57 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.434 ' CD2' HG21 ' A' ' 138' ' ' THR . 2.1 m80 -79.87 154.48 28.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -95.03 42.17 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -156.28 132.26 9.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.45 HD22 HG11 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -50.95 -61.76 2.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -109.18 92.44 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.434 HG21 ' CD2' ' A' ' 133' ' ' HIS . 72.7 p -62.03 119.12 8.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 13.0 m -115.5 120.8 40.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 104.7 165.96 24.34 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.393 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.08 -41.74 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 89.9 p -155.94 164.66 38.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.9 t -111.71 147.7 35.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.8 m -147.26 129.48 15.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.3 t -144.21 152.19 40.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.68 70.61 1.07 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.462 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.5 p -111.02 95.35 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 110.808 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 m -114.63 162.89 16.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -112.14 -129.29 5.25 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.512 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -130.28 98.07 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.828 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -127.85 82.46 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.1 mmt -58.35 141.04 52.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.47 140.75 58.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.35 -110.18 1.87 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 76.95 75.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.575 0.702 . . . . 0.0 111.057 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.68 134.63 13.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.298 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 m -113.59 147.43 38.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -79.7 -40.97 27.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.519 HG22 ' HB2' ' A' ' 100' ' ' GLU . 78.8 t -84.55 145.58 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.539 HD21 ' HB1' ' A' ' 107' ' ' ALA . 68.0 mt -115.4 140.37 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.455 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 9.7 t-80 -96.67 115.38 27.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.592 HG21 HD21 ' A' ' 66' ' ' LEU . 70.4 mt -107.82 143.17 18.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.455 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -142.01 168.12 20.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 65' ' ' LYS . 1.1 mptp? 59.34 40.55 21.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.592 HD21 HG21 ' A' ' 63' ' ' ILE . 53.3 mt -72.61 143.93 85.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -46.9 165.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.732 2.288 . . . . 0.0 112.309 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.403 ' C ' ' CG ' ' A' ' 69' ' ' GLU . . . -74.19 137.26 22.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' CG ' ' C ' ' A' ' 68' ' ' GLY . 3.5 pt-20 40.66 49.99 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.951 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 p -83.47 141.2 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.6 p -92.04 144.88 25.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -44.47 -44.07 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.2 m -38.99 -39.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.165 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.73 -47.86 73.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.71 -14.59 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.1 mt -90.23 -49.97 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -13.01 27.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.845 HD11 HD21 ' A' ' 121' ' ' LEU . 79.6 mt -96.22 -10.72 27.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -113.23 -16.87 8.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.509 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.648 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 27.9 mt -67.09 -41.72 36.72 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.664 0.745 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.4 Cg_exo -47.98 -38.69 31.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.744 2.296 . . . . 0.0 112.347 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -87.83 -46.22 9.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -163.59 164.92 36.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -69.41 134.1 48.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.3 t -81.24 120.44 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.436 ' CG2' ' HA ' ' A' ' 102' ' ' ALA . 65.1 p -92.61 -43.25 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -142.63 145.63 33.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.9 tt -143.59 140.22 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.3 tp -129.34 119.53 24.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.1 ttm -114.83 113.53 24.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.7 mt -85.13 129.99 34.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 94' ' ' LYS . 58.2 tttt -74.95 167.79 21.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.76 -76.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.557 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' LYS . 32.3 mttp -71.65 151.8 43.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.841 0.353 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.21 84.3 6.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -158.71 134.43 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.413 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -154.28 130.94 10.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -96.95 128.86 44.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.7 tp -114.24 143.45 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.519 ' HB2' HG22 ' A' ' 60' ' ' VAL . 3.7 tp10 -131.84 131.99 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.87 174.16 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.436 ' HA ' ' CG2' ' A' ' 86' ' ' THR . . . -47.49 -52.65 16.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 76.6 p -134.08 -179.42 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -76.23 -38.9 55.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -50.42 -32.43 17.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -73.15 -41.75 63.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -66.88 -55.49 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.407 HG22 ' OD1' ' A' ' 112' ' ' ASN . 68.9 mt -40.91 -62.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 110' ' ' MET . 77.8 m -47.4 -54.09 12.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 109' ' ' THR . 9.7 ttt -34.54 -64.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 130' ' ' TYR . 52.7 t -54.69 -43.25 65.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.407 ' OD1' HG22 ' A' ' 108' ' ' ILE . 11.6 m120 -57.49 -62.46 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -45.53 -39.25 7.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 116' ' ' ALA . 25.3 m-85 -74.21 -35.19 63.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 114' ' ' TYR . 28.6 t -37.81 -32.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 114' ' ' TYR . . . -103.28 -46.35 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.9 t -94.66 132.27 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.566 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 20.7 m -101.77 122.28 48.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.545 0.688 . . . . 0.0 111.136 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.03 160.65 33.34 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.682 2.255 . . . . 0.0 112.388 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.566 ' CE1' ' O ' ' A' ' 118' ' ' THR . 20.7 m80 -152.25 109.82 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.845 HD21 HD11 ' A' ' 78' ' ' LEU . 23.2 mt -94.77 123.84 38.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? 52.12 39.28 26.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 63.51 37.84 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -145.72 104.88 4.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.61 0.719 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -44.41 148.96 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.604 2.203 . . . . 0.0 112.439 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.794 HG21 HD12 ' A' ' 121' ' ' LEU . 40.4 pt -128.51 159.64 39.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -104.21 135.83 44.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 52.7 mt -142.3 129.6 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -158.73 -179.0 7.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.599 ' CE1' HG21 ' A' ' 111' ' ' VAL . 3.9 m-85 -73.48 161.49 30.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.8 p -94.86 166.74 11.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -102.74 175.2 5.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -41.06 -29.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -79.66 57.99 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -51.77 177.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.511 ' H ' HG21 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -38.94 -57.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -63.34 147.09 52.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 41.2 p -142.86 121.88 12.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.9 p -112.61 120.75 42.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -59.97 142.94 47.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -79.69 34.08 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.636 2.224 . . . . 0.0 112.339 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.7 m -125.41 152.65 44.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.0 t -169.34 152.42 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.447 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 46' ' ' SER . 62.3 m -131.69 -55.07 1.01 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' SER . 40.5 p 35.08 42.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.46 108.12 0.67 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.8 m -117.48 155.24 30.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.8 p -85.72 174.09 9.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.444 ' C ' ' OD1' ' A' ' 51' ' ' ASP . . . -144.54 -109.79 0.67 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' OD1' ' C ' ' A' ' 50' ' ' GLY . 0.9 OUTLIER -147.92 143.5 27.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.866 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -47.67 162.69 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.5 mtp -57.76 175.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -47.58 136.74 9.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.44 -80.88 0.17 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -173.64 104.93 0.3 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.569 0.699 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.64 171.14 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.727 2.284 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.7 m -152.96 146.78 25.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -59.37 -44.72 92.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 98' ' ' PHE . 90.2 t -83.16 131.86 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.535 HD21 ' HB1' ' A' ' 107' ' ' ALA . 89.4 mt -99.21 127.52 45.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.548 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 9.1 t-80 -93.17 109.2 20.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.693 HG23 ' O ' ' A' ' 127' ' ' TYR . 32.5 mt -109.65 142.87 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.548 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -139.77 176.75 8.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 0.0 OUTLIER 57.13 42.21 26.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.9 mt -67.44 141.68 95.82 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.632 0.729 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.77 145.97 9.0 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.89 123.74 31.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 54.32 48.08 21.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.878 0.37 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 p -81.45 159.4 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.0 p -112.28 135.41 52.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.08 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -40.93 -44.47 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.9 m -42.32 -41.81 2.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.59 -58.15 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.39 -33.69 62.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.1 mt -67.77 -67.94 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.62 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -48.58 -21.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.933 HD11 HD21 ' A' ' 121' ' ' LEU . 50.3 mt -86.75 -30.0 21.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -91.25 -23.34 29.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.433 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.631 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 22.2 mt -56.7 -42.56 96.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.528 0.68 . . . . 0.0 110.935 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.1 Cg_exo -47.96 -54.12 5.67 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 48.8 m-85 -63.95 -51.21 65.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.87 -171.86 21.36 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 85' ' ' VAL . 0.2 OUTLIER -87.42 142.32 27.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.854 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.422 ' N ' ' HD3' ' A' ' 84' ' ' LYS . 70.6 t -91.89 109.43 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.7 p -95.21 -48.16 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -130.68 143.38 50.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.8 tt -143.33 141.5 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.8 tp -136.66 109.03 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.3 ttm -114.18 111.99 22.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.0 mt -77.97 118.44 20.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -49.88 72.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.0 -119.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.471 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -40.09 140.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.325 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -70.89 85.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -155.34 138.47 15.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -150.76 143.31 24.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.441 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 48.2 m-85 -114.1 120.69 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.7 tp -109.59 129.37 55.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.418 ' HB2' HG22 ' A' ' 60' ' ' VAL . 18.8 tt0 -116.4 117.46 29.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' ALA . 6.5 mp -92.12 162.07 14.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -36.79 -60.29 0.62 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.9 p -123.71 158.58 31.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 105' ' ' GLU . 7.1 pt-20 -61.92 -46.06 91.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 104' ' ' GLU . 10.9 tt0 -36.57 -49.89 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.01 76.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.535 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -51.79 -57.97 7.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.1 mt -47.08 -63.95 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.6 m -37.88 -47.48 1.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.569 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 10.1 ttt -63.04 -48.28 79.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.815 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.678 HG21 ' HE1' ' A' ' 130' ' ' TYR . 82.6 t -55.13 -40.4 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.165 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 113' ' ' TYR . 1.7 m-80 -67.16 -61.45 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 112' ' ' ASN . 48.0 t80 -37.84 -38.59 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.53 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 30.9 m-85 -88.07 -38.95 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' TYR . 12.6 t -35.02 -39.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.92 -40.97 8.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.9 t -95.79 128.87 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.0 m -99.9 104.52 29.11 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.534 0.683 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.546 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 60.8 Cg_endo -74.82 -177.23 3.28 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.751 2.301 . . . . 0.0 112.356 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 21.6 m-70 -162.57 119.22 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.933 HD21 HD11 ' A' ' 78' ' ' LEU . 22.4 mt -102.13 127.95 48.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 56.7 mtp85 48.77 40.42 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 27.5 t30 61.41 42.89 11.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -151.31 105.03 2.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -43.39 151.98 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.684 HG21 HD12 ' A' ' 121' ' ' LEU . 43.8 pt -126.67 148.45 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 63' ' ' ILE . 3.4 m-85 -103.24 144.47 31.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 127' ' ' TYR . 59.5 mt -145.9 131.61 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.472 ' HG2' ' N ' ' A' ' 130' ' ' TYR . 53.3 tt0 -171.24 160.36 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.678 ' HE1' HG21 ' A' ' 111' ' ' VAL . 5.6 m-85 -67.94 137.18 54.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.5 t -77.44 -179.66 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 133' ' ' HIS . 76.9 m-20 -95.4 74.86 3.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 132' ' ' ASN . 38.1 m-70 34.82 40.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -96.37 80.14 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -67.27 142.41 56.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 20.5 mt -78.87 98.1 6.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -53.25 163.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.8 p -75.08 -19.88 59.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.8 m -76.94 -54.46 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 122.88 -174.14 16.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -46.01 129.18 12.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.409 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.0 t -61.99 176.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.4 m -113.43 114.71 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.422 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.5 p -164.99 156.54 15.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.374 . . . . 0.0 110.849 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.7 m -122.13 97.36 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.81 -129.56 2.91 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -107.01 83.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.4 p -105.65 95.93 6.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.83 -134.64 10.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -133.87 174.4 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.57 150.49 12.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 4.3 mtp -99.36 43.84 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -40.44 107.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.785 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.27 -106.79 0.83 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.524 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.74 76.83 70.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.556 0.693 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.22 179.54 6.42 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.341 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.7 t -142.71 136.58 29.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -62.82 -28.73 70.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.853 HG22 ' HB2' ' A' ' 100' ' ' GLU . 64.4 t -100.86 126.47 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.836 HD21 ' HB1' ' A' ' 107' ' ' ALA . 20.1 mt -109.02 140.48 42.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.587 ' CE1' ' HG3' ' A' ' 64' ' ' ARG . 33.1 t-80 -95.88 141.11 29.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.914 HG23 ' O ' ' A' ' 127' ' ' TYR . 29.3 mt -133.44 140.86 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.587 ' HG3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -130.3 172.27 12.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 127' ' ' TYR . 0.1 OUTLIER 60.49 40.95 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.5 mt -79.04 143.91 62.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.613 0.721 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.21 127.56 13.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.24 . . . . 0.0 112.418 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -42.48 118.25 1.66 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 59.18 48.52 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.4 p -75.22 152.6 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.4 p -96.3 134.24 39.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.443 ' HB3' HD11 ' A' ' 76' ' ' ILE . 18.0 mt-10 -43.23 -49.33 6.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 86.8 m -40.8 -36.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.182 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -61.45 -67.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 t -56.42 -33.09 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' A' ' 72' ' ' GLU . 74.7 mt -67.95 -44.25 85.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.468 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -63.46 -16.74 61.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.675 HD11 HD21 ' A' ' 121' ' ' LEU . 65.9 mt -90.79 -18.76 24.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.422 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -99.64 -23.23 11.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.522 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 19.8 mt -59.3 -41.87 89.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 64.5 Cg_exo -47.88 -41.4 32.27 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.371 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -90.81 -50.52 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.12 165.57 32.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -74.49 156.05 37.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.34 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.54 137.65 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.19 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.1 p -116.92 -38.79 3.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -137.35 135.36 36.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.5 tt -143.19 138.74 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.0 tp -131.05 111.92 12.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.3 tpp -107.06 125.12 50.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.481 HD12 ' NE2' ' A' ' 96' ' ' GLN . 91.3 mt -91.75 135.74 33.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -73.25 -63.86 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -50.19 -94.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -57.65 134.73 56.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' LYS . 2.1 m-80 -73.5 76.87 1.44 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.481 ' NE2' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -156.66 162.0 39.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -163.36 156.29 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.571 ' HB2' HD11 ' A' ' 136' ' ' LEU . 40.9 m-85 -113.97 124.75 52.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.2 tp -109.26 147.81 32.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.853 ' HB2' HG22 ' A' ' 60' ' ' VAL . 22.6 tt0 -137.49 123.48 20.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 101' ' ' LEU . 6.1 mp -100.29 159.66 14.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.49 -57.2 9.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.035 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.3 p -99.75 159.46 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.98 -24.95 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -65.88 -29.37 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.89 87.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.836 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -71.12 -49.96 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 80.5 mt -45.6 -59.2 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 79.0 m -64.34 -34.71 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 24.2 ttt -56.18 -64.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.868 HG21 ' CE1' ' A' ' 130' ' ' TYR . 61.5 t -45.23 -55.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.7 m-80 -44.68 -59.85 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ASN . 90.5 t80 -37.68 -41.72 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.594 ' CD2' HD13 ' A' ' 128' ' ' ILE . 40.4 m-85 -84.68 -32.3 23.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 112' ' ' ASN . 22.6 t -36.52 -43.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.34 -39.43 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 65.7 t -87.36 129.7 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.419 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 20.0 m -100.14 106.49 42.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.531 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.8 Cg_endo -77.81 172.27 15.95 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.766 2.31 . . . . 0.0 112.348 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.469 ' CG ' ' C ' ' A' ' 119' ' ' PRO . 13.3 m-70 -159.08 109.46 2.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.762 HD12 HG21 ' A' ' 126' ' ' ILE . 26.3 mt -89.94 137.56 32.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 45.83 36.38 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 13.2 m120 65.11 46.08 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -158.45 113.48 1.7 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -43.53 153.32 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.762 HG21 HD12 ' A' ' 121' ' ' LEU . 24.8 pt -128.72 160.74 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.914 ' O ' HG23 ' A' ' 63' ' ' ILE . 11.5 m-30 -108.11 134.55 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.594 HD13 ' CD2' ' A' ' 114' ' ' TYR . 49.2 mt -133.54 124.86 49.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 7.0 tp-100 -155.89 158.33 37.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.868 ' CE1' HG21 ' A' ' 111' ' ' VAL . 4.1 m-85 -68.08 156.59 37.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.8 m -111.58 157.43 20.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -73.62 -55.06 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -78.8 151.29 32.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 42.89 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -174.65 133.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 98' ' ' PHE . 3.5 mm? -87.8 -43.15 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -91.63 124.14 35.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 70.4 p -116.02 125.84 53.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.6 m -69.19 -64.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 119.66 97.89 1.72 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -42.85 158.18 0.08 OUTLIER 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 53.9 p -127.45 141.79 51.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 45.0 m -83.32 121.88 27.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.9 t -160.88 148.99 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.3 p -70.94 108.47 4.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.08 124.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.0 t -117.95 -51.64 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -108.52 157.3 18.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.57 -116.8 1.39 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.53 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 65.63 45.39 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -102.95 103.17 13.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -136.6 120.45 17.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -83.54 167.49 17.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.11 -47.32 0.19 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -115.33 77.53 5.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.545 0.688 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.87 152.0 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.735 2.29 . . . . 0.0 112.299 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -144.24 154.78 43.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -81.0 -38.21 27.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.8 t -85.07 133.55 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.1 mt -114.99 139.85 49.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.689 ' CE1' ' CD ' ' A' ' 64' ' ' ARG . 9.7 t-160 -87.92 117.24 26.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.615 HG21 HD21 ' A' ' 66' ' ' LEU . 61.5 mt -112.35 137.06 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.689 ' CD ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -146.82 172.19 14.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 22.5 mmmt 62.36 32.26 16.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.615 HD21 HG21 ' A' ' 63' ' ' ILE . 86.5 mt -73.75 144.29 82.79 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.712 0.768 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -46.4 138.39 13.8 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.6 119.7 10.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 61.73 42.68 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.67 140.21 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.8 p -89.47 136.9 32.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -40.36 -48.15 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 90.3 m -37.6 -40.39 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.915 ' OE1' HD22 ' A' ' 121' ' ' LEU . 10.6 mt-10 -60.4 -67.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.0 t -52.83 -40.32 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.87 -55.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -52.12 -20.03 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.402 ' C ' ' HD2' ' A' ' 81' ' ' PRO . 74.3 mt -88.63 -24.15 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -94.86 -21.37 26.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.515 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.648 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 24.5 mt -62.02 -41.91 78.86 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.8 Cg_exo -48.03 -50.76 11.2 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.631 2.22 . . . . 0.0 112.303 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 61.2 m-85 -69.26 -46.22 67.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.17 -98.64 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.539 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -166.71 135.07 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.493 HG22 HD21 ' A' ' 99' ' ' LEU . 74.9 t -79.67 118.65 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.578 HG21 ' HA ' ' A' ' 102' ' ' ALA . 82.2 p -99.23 -41.75 7.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.758 ' HB3' HD13 ' A' ' 136' ' ' LEU . 52.8 m-20 -136.62 124.21 22.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.4 tt -124.56 151.69 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.413 HD23 ' CD1' ' A' ' 98' ' ' PHE . 19.9 tp -137.1 115.82 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.7 ttm -112.79 130.03 56.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.0 mt -101.48 145.15 29.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -73.76 -19.74 60.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 94' ' ' LYS . . . -48.35 175.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.404 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 93' ' ' GLY . 0.0 OUTLIER -36.65 -60.86 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.874 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 0.2 OUTLIER -168.33 104.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 95' ' ' ASN . 51.5 mt-30 -162.84 138.78 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -165.43 157.23 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.413 ' CD1' HD23 ' A' ' 89' ' ' LEU . 14.4 m-85 -130.65 132.42 45.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.493 HD21 HG22 ' A' ' 85' ' ' VAL . 8.8 tp -112.84 146.68 38.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -133.5 107.97 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.552 HD23 ' HB1' ' A' ' 106' ' ' ALA . 7.1 mp -72.85 154.5 40.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.578 ' HA ' HG21 ' A' ' 86' ' ' THR . . . -39.24 -52.78 1.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 62.2 p -133.2 167.77 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.115 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 105' ' ' GLU . 11.5 pt-20 -66.48 -44.79 81.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 9.6 tt0 -37.86 -43.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.552 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -69.5 -46.38 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.065 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.41 -51.73 63.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.0 mt -50.88 -53.79 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.6 m -63.86 -37.64 88.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.569 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 9.7 ttt -53.76 -65.73 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.831 HG21 ' CE1' ' A' ' 130' ' ' TYR . 87.2 t -42.68 -61.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.7 m-80 -38.51 -59.91 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -37.47 -38.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 115' ' ' SER . 34.5 m-85 -88.75 -35.82 16.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 114' ' ' TYR . 17.7 t -36.24 -39.1 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.93 -42.62 6.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.068 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.2 t -92.78 132.6 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.578 HG22 ' CE1' ' A' ' 120' ' ' HIS . 26.4 m -101.12 109.79 59.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.71 . . . . 0.0 111.179 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.513 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 60.9 Cg_endo -75.38 168.82 23.76 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.578 ' CE1' HG22 ' A' ' 118' ' ' THR . 23.8 m-70 -161.33 119.33 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.915 HD22 ' OE1' ' A' ' 74' ' ' GLU . 19.7 mt -100.16 137.86 38.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 49.74 43.02 24.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 61.18 39.97 15.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -150.54 146.51 19.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.529 0.681 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.31 151.55 43.35 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.624 2.216 . . . . 0.0 112.389 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.604 HG21 HD12 ' A' ' 121' ' ' LEU . 37.8 pt -127.49 154.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.483 ' CE2' ' HG3' ' A' ' 65' ' ' LYS . 9.3 m-85 -99.78 136.3 39.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.434 HG13 ' C ' ' A' ' 127' ' ' TYR . 64.0 mt -146.87 124.2 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -154.11 -178.07 6.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.831 ' CE1' HG21 ' A' ' 111' ' ' VAL . 2.8 m-85 -82.81 151.28 26.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.973 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 36.6 t -118.36 113.69 21.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.798 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.491 ' O ' ' CG ' ' A' ' 133' ' ' HIS . 20.4 m-20 -79.52 96.15 6.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 132' ' ' ASN . 47.0 m-70 -164.5 135.22 4.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -47.28 -50.89 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -148.76 -178.46 6.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.758 HD13 ' HB3' ' A' ' 87' ' ' ASN . 4.2 tt -81.43 -48.34 12.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -82.06 131.61 35.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 88.1 m -68.2 118.65 11.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.6 p -58.21 155.78 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -163.86 95.45 0.12 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.54 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.29 132.72 12.01 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.367 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 57.1 p -103.51 132.17 50.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 91.8 p -93.06 -49.18 6.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.918 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.1 m 53.74 42.06 31.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 110.892 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.4 m -65.43 155.11 36.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.93 60.38 2.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -93.04 42.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.8 m -96.03 171.49 8.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -87.86 50.77 4.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.45 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -66.95 162.99 20.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -122.73 114.04 20.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.5 mmt -125.94 87.72 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -142.5 161.75 37.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 169.31 -95.79 0.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.43 80.18 72.88 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.559 0.695 . . . . 0.0 111.104 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.69 152.36 1.01 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.8 m -120.07 154.34 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -80.89 -35.72 32.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.493 HG21 ' HB2' ' A' ' 136' ' ' LEU . 89.0 t -86.22 138.63 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.43 HD12 ' SD ' ' A' ' 110' ' ' MET . 81.4 mt -115.35 138.88 50.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.522 ' CE1' ' NE ' ' A' ' 64' ' ' ARG . 11.8 t-80 -94.28 143.75 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 127' ' ' TYR . 69.5 mt -140.1 135.98 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.522 ' NE ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -123.98 177.74 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt 53.22 46.92 25.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.812 HD11 ' CB ' ' A' ' 97' ' ' ALA . 34.1 mt -69.54 136.93 88.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.543 0.687 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -47.86 133.3 22.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.48 112.52 1.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 68.67 44.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.933 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.2 p -74.69 148.16 8.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.9 p -105.42 139.88 39.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.518 ' HB3' HD11 ' A' ' 76' ' ' ILE . 1.2 mp0 -40.19 -50.45 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.4 m -39.87 -41.72 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -55.78 -67.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.429 ' CG1' HD13 ' A' ' 99' ' ' LEU . 91.9 t -53.87 -42.83 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.518 HD11 ' HB3' ' A' ' 72' ' ' GLU . 44.1 mt -58.93 -45.93 91.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.7 -23.07 66.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.3 -13.41 35.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.2 -7.85 39.78 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.65 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 22.0 mt -78.93 -41.93 1.7 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.8 Cg_exo -47.91 -21.44 2.63 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.29 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 63.1 m-85 -102.49 -49.83 3.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.03 -129.5 1.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.71 130.22 37.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.5 t -83.47 116.35 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.0 p -96.61 -36.32 10.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -133.47 135.89 44.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.05 142.98 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.6 tp -136.22 119.22 16.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.1 ttm -122.43 120.29 33.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.8 mt -84.1 132.26 34.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -71.54 -51.17 24.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -57.45 -94.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.529 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -59.57 159.78 7.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -89.87 70.23 7.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -139.07 157.39 46.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.812 ' CB ' HD11 ' A' ' 66' ' ' LEU . . . -165.47 139.61 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -113.47 127.32 56.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.429 HD13 ' CG1' ' A' ' 75' ' ' VAL . 12.5 tp -109.47 154.2 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -141.5 125.71 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.45 165.67 11.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.08 -54.55 12.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.4 p -116.28 168.51 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 107' ' ' ALA . 10.7 pt-20 -76.73 -45.93 27.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' A' ' 104' ' ' GLU . 21.8 tt0 -38.52 -53.12 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.28 -39.71 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 104' ' ' GLU . . . -62.49 -51.97 65.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.6 mt -55.65 -57.79 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.5 m -56.84 -36.68 70.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.571 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 15.3 ttt -55.99 -56.85 15.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.536 HG11 ' HE1' ' A' ' 130' ' ' TYR . 91.1 t -58.01 -42.08 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -57.35 -57.68 11.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -45.23 -36.58 4.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.447 ' CE1' ' HG3' ' A' ' 119' ' ' PRO . 21.8 m-85 -79.02 -32.0 44.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.9 t -43.38 -33.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.32 -41.01 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.06 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 89.3 t -97.38 132.21 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.442 ' O ' ' NE2' ' A' ' 120' ' ' HIS . 31.9 m -104.38 104.82 46.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.58 0.705 . . . . 0.0 111.199 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.447 ' HG3' ' CE1' ' A' ' 114' ' ' TYR . 60.4 Cg_endo -74.29 167.32 27.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 118' ' ' THR . 20.7 m-70 -155.67 135.71 12.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.527 HD12 HG21 ' A' ' 126' ' ' ILE . 22.6 mt -113.01 134.78 54.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 45.09 43.04 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 58.94 46.14 14.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -154.91 105.03 2.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.555 0.693 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -42.3 152.35 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.527 HG21 HD12 ' A' ' 121' ' ' LEU . 37.3 pt -124.8 158.51 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.175 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.478 ' O ' HG23 ' A' ' 63' ' ' ILE . 12.7 m-30 -107.72 133.85 51.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 53.2 mt -134.26 120.21 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.442 ' OE1' ' NH2' ' A' ' 64' ' ' ARG . 7.7 mt-30 -146.63 157.77 43.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.536 ' HE1' HG11 ' A' ' 111' ' ' VAL . 5.1 m-85 -63.08 131.74 49.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 54.3 p -55.18 178.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -103.66 175.68 5.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -48.16 -31.47 5.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -79.69 47.24 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 136' ' ' LEU . 8.2 pt-20 -66.19 145.4 55.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 60' ' ' VAL . 24.8 mt -35.03 120.17 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -64.25 148.3 50.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 70.8 p -107.05 115.44 30.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 81.9 p -49.89 151.55 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 169.63 79.59 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -76.95 105.59 2.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.266 . . . . 0.0 112.329 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.4 m -56.83 -45.51 82.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 15.1 t 52.71 42.43 31.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.469 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.5 p -167.15 121.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.382 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.8 p -96.94 154.95 16.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.74 48.14 0.78 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.408 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.6 p -93.08 170.17 9.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 55.0 m -153.89 133.29 12.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 178.24 -99.65 0.13 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.565 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.72 146.39 44.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.924 0.393 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -123.18 174.31 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.96 107.69 7.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.9 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.77 144.99 3.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 140.86 -39.07 1.49 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.58 80.84 31.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.72 . . . . 0.0 111.097 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.64 165.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.719 2.279 . . . . 0.0 112.419 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 m -136.8 167.3 21.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.401 ' CG ' ' HB3' ' A' ' 104' ' ' GLU . 81.6 mtt180 -90.92 -43.64 9.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.477 HG22 ' HB2' ' A' ' 100' ' ' GLU . 88.6 t -83.46 142.37 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.8 mt -116.03 137.32 52.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.509 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 12.0 t-160 -87.98 120.32 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.813 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.529 HG21 HD21 ' A' ' 66' ' ' LEU . 72.2 mt -121.1 135.58 60.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.509 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -144.51 -176.8 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.509 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 6.6 mmtp 52.17 28.34 5.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 63' ' ' ILE . 37.2 mt -60.77 143.53 90.92 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.623 0.725 . . . . 0.0 110.944 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -46.3 154.68 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.78 135.41 32.81 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 50.1 46.3 24.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.358 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.453 HG11 ' HB3' ' A' ' 66' ' ' LEU . 7.5 p -88.75 147.53 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.5 p -109.3 151.79 26.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 73' ' ' THR . 92.9 mt-10 -45.25 -42.65 9.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' GLU . 50.9 m -34.88 -47.03 0.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -58.43 -65.44 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.64 -31.34 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 73' ' ' THR . 65.4 mt -70.75 -63.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.74 -17.53 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.428 ' C ' ' HD2' ' A' ' 81' ' ' PRO . 51.2 mt -92.91 -24.42 18.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.426 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -93.14 -25.55 19.06 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 22.3 mt -58.83 -41.89 91.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.722 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.0 Cg_exo -47.98 -49.9 12.94 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.311 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.502 ' CE2' ' HG3' ' A' ' 110' ' ' MET . 51.8 m-85 -78.49 -50.79 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.651 ' HA3' HD23 ' A' ' 101' ' ' LEU . . . -156.57 172.15 34.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.514 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -77.6 141.71 39.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.5 t -80.78 113.81 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.636 HG21 ' HA ' ' A' ' 102' ' ' ALA . 36.7 p -102.7 -44.31 5.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.465 ' HB3' ' CD2' ' A' ' 136' ' ' LEU . 4.3 m-20 -134.57 126.12 28.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.6 tt -129.8 150.48 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.53 HD23 ' CD1' ' A' ' 98' ' ' PHE . 29.2 tp -139.83 123.32 17.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.2 ttm -124.23 140.54 52.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 80.4 mt -112.93 143.64 43.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -76.52 -16.28 59.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' LYS . . . -53.68 -176.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.401 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 93' ' ' GLY . 19.7 mtpt -35.55 -67.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.465 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 36.8 m-20 -170.68 106.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.465 ' CG ' ' O ' ' A' ' 95' ' ' ASN . 34.4 mt-30 -164.7 134.73 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.448 ' HB3' HD11 ' A' ' 66' ' ' LEU . . . -161.88 148.06 13.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.53 ' CD1' HD23 ' A' ' 89' ' ' LEU . 7.2 m-85 -120.69 135.27 55.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.2 tp -112.64 147.54 36.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.477 ' HB2' HG22 ' A' ' 60' ' ' VAL . 21.3 tt0 -139.31 111.27 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.826 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.651 HD23 ' HA3' ' A' ' 83' ' ' GLY . 7.1 mp -82.73 151.03 26.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.636 ' HA ' HG21 ' A' ' 86' ' ' THR . . . -37.58 -56.17 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.3 p -113.22 153.43 28.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' HB3' ' CG ' ' A' ' 59' ' ' ARG . 5.6 pt-20 -66.34 -46.67 76.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' A' ' 108' ' ' ILE . 5.1 tt0 -38.74 -52.29 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.7 -52.04 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.42 -40.41 62.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.667 HG22 ' OD1' ' A' ' 112' ' ' ASN . 65.0 mt -60.32 -54.99 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.0 m -56.73 -40.43 75.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.215 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.502 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 13.6 ttt -46.76 -63.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.52 -40.37 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.667 ' OD1' HG22 ' A' ' 108' ' ' ILE . 27.3 m120 -52.49 -56.91 11.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -50.29 -42.62 52.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 115' ' ' SER . 15.9 m-85 -66.85 -36.58 82.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 114' ' ' TYR . 23.1 t -35.48 -39.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.12 -41.94 8.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.7 t -101.79 128.98 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.6 m -101.04 117.37 62.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.46 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 61.1 Cg_endo -75.8 165.34 30.3 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.381 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 38.9 m-70 -159.16 107.24 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.855 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.609 HD12 HG21 ' A' ' 126' ' ' ILE . 20.7 mt -87.22 133.08 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? 46.1 44.07 11.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 56.89 45.85 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -156.4 107.86 2.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.647 0.737 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -43.85 157.81 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.609 HG21 HD12 ' A' ' 121' ' ' LEU . 41.5 pt -131.29 149.49 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.509 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 3.2 m-85 -89.43 133.53 34.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 127' ' ' TYR . 81.0 mt -147.74 126.71 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -156.21 -178.2 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.995 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -85.53 162.04 19.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 78.1 p -106.77 108.47 19.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -92.29 -46.38 7.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -120.33 -37.14 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -81.72 47.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -88.35 138.83 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 87' ' ' ASN . 32.2 tp -54.61 -46.09 73.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 10.0 mmmt -46.89 144.43 2.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 30.4 p -149.09 170.54 18.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.1 t -137.56 153.15 50.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -175.04 99.14 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.08 173.56 14.3 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 33.5 p -129.63 151.55 50.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 83.4 p -79.35 160.26 26.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.559 -0.217 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.1 p -107.27 -60.97 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.7 p -41.24 117.08 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.05 77.07 0.17 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.539 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.8 p -60.63 107.58 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.91 0.385 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -60.66 170.38 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.56 -105.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.14 139.94 47.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -167.27 127.12 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 12.8 mmt -113.48 94.39 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -114.1 119.67 37.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . -106.55 -129.06 6.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.435 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . 73.18 54.65 0.3 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.58 0.705 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.489 ' HD3' ' N ' ' A' ' 56' ' ' ALA . 72.3 Cg_exo -44.66 151.03 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.651 2.234 . . . . 0.0 112.405 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.5 m -121.56 162.85 19.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.448 ' C ' ' OE1' ' A' ' 100' ' ' GLU . 59.8 mtt85 -82.43 -45.77 14.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.415 HG22 ' HB2' ' A' ' 100' ' ' GLU . 66.9 t -86.9 144.29 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.051 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.4 mt -121.88 146.91 46.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.589 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 17.5 t-80 -103.99 135.09 46.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.861 HG23 ' O ' ' A' ' 127' ' ' TYR . 59.8 mt -130.58 137.44 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.589 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -123.38 -176.85 3.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? 52.1 41.54 30.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.5 mt -72.85 140.83 81.3 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.595 0.712 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.04 141.04 12.96 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.16 125.01 7.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 45.55 52.81 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.926 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.7 p -78.45 146.99 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.7 p -98.1 145.18 26.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 10.5 mp0 -46.73 -47.46 20.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.9 m -43.95 -40.54 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -57.03 -61.81 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.17 -41.79 81.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.2 -48.56 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.68 -24.46 3.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 121' ' ' LEU . 32.9 mt -88.25 -22.23 24.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.443 ' C ' ' HD2' ' A' ' 81' ' ' PRO . . . -92.29 -27.24 16.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 21.1 mt -57.22 -42.29 95.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.582 0.706 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 65.5 Cg_exo -48.01 -55.2 4.24 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.324 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 110' ' ' MET . 96.7 m-85 -66.25 -50.02 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.21 -114.84 0.54 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -149.44 137.98 20.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.3 t -84.48 114.0 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.6 p -97.21 -39.7 9.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.652 ' HB3' HD23 ' A' ' 136' ' ' LEU . 55.8 m-20 -131.26 126.92 36.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.421 HD13 ' HB3' ' A' ' 72' ' ' GLU . 18.9 tt -129.22 144.53 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.613 HD23 ' CD1' ' A' ' 98' ' ' PHE . 24.2 tp -133.9 111.34 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.1 tpp -111.61 106.8 15.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.7 mt -71.07 107.74 4.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -67.62 127.04 31.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.61 -38.3 3.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -104.28 177.54 4.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.778 0.323 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -108.58 44.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -130.13 138.04 50.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.15 143.37 24.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.613 ' CD1' HD23 ' A' ' 89' ' ' LEU . 33.7 m-85 -109.42 126.05 53.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.8 tp -112.17 145.11 40.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' A' ' 59' ' ' ARG . 32.2 tp10 -130.03 136.8 49.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.808 HD23 ' HB1' ' A' ' 106' ' ' ALA . 5.4 mp -105.99 159.35 16.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.18 -59.9 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.064 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.4 p -110.48 164.29 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.01 -35.07 77.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.572 ' HA ' HD12 ' A' ' 108' ' ' ILE . 5.8 tt0 -58.72 -53.57 56.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.808 ' HB1' HD23 ' A' ' 101' ' ' LEU . . . -38.91 -40.09 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.61 -52.22 27.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 105' ' ' GLU . 64.2 mt -46.07 -52.91 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.6 m -56.68 -43.06 80.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 82' ' ' PHE . 10.8 ttt -51.06 -62.52 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.804 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.596 HG11 ' HE1' ' A' ' 130' ' ' TYR . 97.6 t -48.18 -62.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 115' ' ' SER . 1.6 m-80 -48.67 -61.49 2.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 4.0 t80 -38.34 -38.78 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 115' ' ' SER . 18.8 m-85 -83.27 -36.48 24.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 114' ' ' TYR . 4.5 t -34.28 -41.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -89.34 -43.35 10.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 91.4 t -107.86 127.0 64.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 75.7 m -100.69 119.71 57.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.698 . . . . 0.0 111.086 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.52 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 62.5 Cg_endo -76.54 178.71 7.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 119' ' ' PRO . 19.6 m-70 -161.99 108.75 1.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.559 HD12 HG21 ' A' ' 126' ' ' ILE . 24.6 mt -87.81 135.22 33.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 49.03 40.62 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.94 39.56 23.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -146.43 112.21 4.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.74 141.97 7.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.559 HG21 HD12 ' A' ' 121' ' ' LEU . 44.9 pt -116.69 158.05 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.861 ' O ' HG23 ' A' ' 63' ' ' ILE . 3.5 m-30 -106.64 133.26 51.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 53.2 mt -133.29 132.72 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.451 ' HG3' ' N ' ' A' ' 130' ' ' TYR . 8.8 tp60 -166.05 160.27 16.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.596 ' HE1' HG11 ' A' ' 111' ' ' VAL . 13.9 m-85 -66.45 166.25 12.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.4 t -114.33 144.42 43.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -73.14 -55.33 6.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -38.61 146.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -63.87 -48.73 75.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -156.38 172.95 17.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.652 HD23 ' HB3' ' A' ' 87' ' ' ASN . 52.2 tp -83.91 114.61 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 136' ' ' LEU . 16.4 pttt 34.24 42.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 10.1 t -59.27 146.66 38.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 61.9 m -143.98 130.58 20.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.798 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -178.27 -102.88 0.16 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.78 40.83 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.643 2.228 . . . . 0.0 112.338 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 83.2 p -54.26 157.41 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 t -75.08 -44.54 46.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.799 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.409 -0.277 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.8 p -43.56 126.77 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.899 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.4 m -98.73 39.68 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.76 -64.16 4.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.471 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -109.09 114.27 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.824 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -128.61 166.57 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.18 -65.23 3.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -150.89 169.01 22.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -112.98 152.23 29.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 40.4 ttp -142.0 146.1 35.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.76 176.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.803 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.402 ' C ' ' HD3' ' A' ' 57' ' ' PRO . . . -176.11 -110.13 0.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.82 74.9 6.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.535 0.683 . . . . 0.0 111.156 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' C ' ' A' ' 55' ' ' GLY . 71.6 Cg_exo -46.18 125.7 8.97 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.615 2.21 . . . . 0.0 112.372 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t -109.07 136.19 48.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -64.82 -28.08 69.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.422 HG22 ' HB2' ' A' ' 100' ' ' GLU . 39.4 t -92.22 135.19 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 mt -112.23 137.93 49.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.631 ' CE1' ' CG ' ' A' ' 64' ' ' ARG . 11.6 t-80 -89.96 121.9 32.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.407 HG21 HD21 ' A' ' 66' ' ' LEU . 64.1 mt -117.59 131.11 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.631 ' CG ' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -132.09 174.19 10.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm 56.78 53.99 7.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.407 HD21 HG21 ' A' ' 63' ' ' ILE . 75.8 mt -92.01 151.63 42.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.566 0.698 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.91 142.33 74.97 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.18 149.06 46.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 60.18 26.35 15.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.15 139.93 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.414 ' H ' ' HG1' ' A' ' 71' ' ' THR . 9.4 p -96.9 152.49 18.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -51.63 -37.77 51.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.0 m -40.14 -42.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -58.84 -54.59 45.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.1 t -63.08 -35.45 71.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 86.0 mt -65.77 -52.74 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.79 -17.47 15.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.9 mt -92.18 -25.39 18.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -96.66 -9.86 56.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.443 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.7 mt -75.11 -41.85 4.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.648 0.737 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 66.5 Cg_exo -48.08 -30.49 14.35 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.301 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 110' ' ' MET . 55.4 m-85 -92.37 -47.35 7.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.01 -127.66 1.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 1.6 tppp? -133.66 142.7 48.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.404 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 44.6 t -96.64 95.73 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.4 p -89.01 -39.14 13.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.783 ' HB3' HD13 ' A' ' 136' ' ' LEU . 20.8 m-20 -128.5 127.98 43.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.501 ' HB ' HD12 ' A' ' 99' ' ' LEU . 7.7 tt -143.4 152.07 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 tp -140.67 130.19 24.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.7 ttm -130.66 125.59 34.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.2 mt -91.56 120.05 32.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -60.15 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -51.78 -78.59 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.443 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -67.74 157.93 33.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.41 ' C ' ' NE2' ' A' ' 96' ' ' GLN . 1.9 m-20 -92.64 44.52 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.41 ' NE2' ' C ' ' A' ' 95' ' ' ASN . 2.4 mp0 -117.65 157.48 26.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -162.07 141.18 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -110.5 124.49 51.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.501 HD12 ' HB ' ' A' ' 88' ' ' ILE . 15.2 tp -112.81 139.82 48.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.422 ' HB2' HG22 ' A' ' 60' ' ' VAL . 59.5 tt0 -126.36 144.39 50.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.7 mp -116.02 142.22 47.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -40.21 -47.67 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 48.3 p -104.63 164.42 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -90.31 -46.88 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -46.69 -28.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.63 -43.63 62.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.41 -41.62 80.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.0 mt -63.19 -48.87 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' MET . 36.5 m -61.92 -51.72 66.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 109' ' ' THR . 9.6 ttt -34.99 -54.66 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.744 HG21 ' CE1' ' A' ' 130' ' ' TYR . 61.8 t -64.95 -54.24 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -44.56 -50.57 9.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -48.68 -50.62 32.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 116' ' ' ALA . 23.6 m-85 -69.0 -28.15 66.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 114' ' ' TYR . 10.2 t -37.44 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' TYR . . . -108.78 -34.75 6.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.1 t -95.67 135.79 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 5.4 m -105.64 108.08 60.74 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.599 0.714 . . . . 0.0 111.129 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.438 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 60.8 Cg_endo -75.12 151.2 38.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 118' ' ' THR . 8.3 m80 -147.29 121.05 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.809 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.488 HD12 HG21 ' A' ' 126' ' ' ILE . 22.2 mt -104.12 137.95 41.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? 45.34 35.89 2.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.5 t30 63.88 47.12 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -159.06 104.96 1.56 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.557 0.694 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -43.81 149.4 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.488 HG21 HD12 ' A' ' 121' ' ' LEU . 21.3 pt -118.06 164.59 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.416 ' HB3' ' CZ ' ' A' ' 64' ' ' ARG . 6.6 m-30 -107.2 129.35 54.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 68.6 mt -132.99 116.73 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -146.06 148.25 32.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.744 ' CE1' HG21 ' A' ' 111' ' ' VAL . 4.1 m-85 -54.26 147.6 13.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.9 t -97.11 123.16 40.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.793 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -61.05 -35.96 78.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -62.92 148.43 47.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -88.03 -52.35 5.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -99.33 145.56 27.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.783 HD13 ' HB3' ' A' ' 87' ' ' ASN . 6.7 tt -71.04 -52.94 16.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -53.27 138.51 32.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 60.0 p -89.08 115.34 26.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.159 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.3 m -43.25 150.76 0.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -157.19 177.59 33.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.432 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.09 153.47 32.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.377 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.5 t -124.56 135.85 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 t -149.03 124.78 10.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.564 179.949 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -156.39 116.82 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.388 . . . . 0.0 110.862 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.1 p -153.14 171.24 18.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.836 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -178.84 -96.61 0.1 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.1 p 38.15 42.26 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 110.836 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.2 t -126.0 106.91 9.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.09 100.98 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.516 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -100.87 177.32 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.815 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -115.54 118.58 33.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.4 ptm -159.57 130.39 5.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -153.44 140.57 19.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -108.93 -87.75 1.9 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.55 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.51 76.1 34.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.632 0.73 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.49 161.18 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.631 2.221 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.6 m -138.12 133.39 33.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.9 -38.12 72.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.468 HG22 ' HB2' ' A' ' 100' ' ' GLU . 65.2 t -87.5 145.5 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.6 mt -115.96 134.92 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.517 ' CE1' ' HD2' ' A' ' 64' ' ' ARG . 9.4 t-80 -88.14 132.72 34.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 127' ' ' TYR . 54.0 mt -135.41 143.65 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.517 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -150.31 -177.47 5.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.522 ' HD2' ' CZ ' ' A' ' 127' ' ' TYR . 39.4 mttt 48.68 44.45 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.8 mt -84.57 153.72 61.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.419 ' HD3' HG22 ' A' ' 126' ' ' ILE . 72.1 Cg_exo -46.68 139.82 13.21 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.72 128.33 36.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.438 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 48.32 52.72 13.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 p -81.7 151.68 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.3 p -97.92 132.31 43.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' THR . 73.5 mt-10 -45.57 -46.98 14.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' GLU . 23.0 m -35.55 -40.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.686 ' OE1' HD22 ' A' ' 121' ' ' LEU . 38.6 mt-10 -60.86 -64.92 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.4 t -51.84 -41.19 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.437 ' HA ' HG21 ' A' ' 85' ' ' VAL . 71.8 mt -61.07 -54.51 34.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.33 -21.01 21.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.433 HD11 HD21 ' A' ' 121' ' ' LEU . 52.9 mt -89.04 -18.14 27.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.31 -5.48 55.88 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 28.0 mt -78.84 -41.86 1.74 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 63.8 Cg_exo -47.92 -29.23 11.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.64 2.227 . . . . 0.0 112.371 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -90.72 -45.42 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.32 -92.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.449 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.522 ' HA ' HD23 ' A' ' 80' ' ' LEU . 13.1 ttmm -166.94 155.07 9.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.607 ' CG1' HD11 ' A' ' 99' ' ' LEU . 96.9 t -105.74 98.53 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.3 p -80.8 -42.31 21.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.461 ' HB3' HD12 ' A' ' 136' ' ' LEU . 4.9 t-20 -128.95 138.05 51.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.8 tt -142.86 138.23 27.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.7 tp -131.71 108.04 9.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.1 tpp -110.89 121.44 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.8 mt -93.11 141.47 28.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -92.81 -45.12 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -50.06 -55.33 15.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.448 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -113.79 167.89 10.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -87.67 65.72 8.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -136.54 153.13 51.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -162.9 146.42 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -120.34 132.19 55.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.607 HD11 ' CG1' ' A' ' 85' ' ' VAL . 11.8 tp -121.75 136.4 54.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.468 ' HB2' HG22 ' A' ' 60' ' ' VAL . 35.1 tt0 -121.09 114.51 21.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 102' ' ' ALA . 6.9 mp -80.93 158.3 25.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.27 -52.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.8 p -136.63 171.48 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.074 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 107' ' ' ALA . 11.6 pt-20 -64.51 -50.73 66.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 104' ' ' GLU . 10.2 tm-20 -35.65 -48.21 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.72 -44.07 91.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 104' ' ' GLU . . . -58.67 -49.03 79.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 69.6 mt -54.5 -61.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.176 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 60.2 m -54.34 -41.94 69.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.173 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 17.2 ttt -49.0 -50.73 34.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.452 HG21 ' CE1' ' A' ' 130' ' ' TYR . 61.8 t -67.32 -39.48 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -55.78 -50.97 69.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -54.09 -38.98 65.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.457 ' CD1' ' HG3' ' A' ' 119' ' ' PRO . 18.6 m-85 -75.34 -36.43 61.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.7 m -38.88 -42.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.19 -42.2 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.08 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 78.3 t -87.59 127.02 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.442 HG22 ' CE1' ' A' ' 120' ' ' HIS . 13.7 m -100.1 106.47 41.79 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.591 0.71 . . . . 0.0 111.186 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.457 ' HG3' ' CD1' ' A' ' 114' ' ' TYR . 62.2 Cg_endo -77.27 158.1 33.36 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.442 ' CE1' HG22 ' A' ' 118' ' ' THR . 32.8 m-70 -151.66 119.96 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.827 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.686 HD22 ' OE1' ' A' ' 74' ' ' GLU . 21.7 mt -99.76 139.03 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 44.08 46.36 7.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 t30 59.73 45.05 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.435 ' CD ' ' HD2' ' A' ' 125' ' ' PRO . 10.5 tp60 -155.41 138.46 10.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.564 0.697 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.435 ' HD2' ' CD ' ' A' ' 124' ' ' GLN . 61.0 Cg_endo -74.56 143.45 30.66 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.631 HD12 HD11 ' A' ' 128' ' ' ILE . 17.2 pt -113.38 154.18 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.522 ' CZ ' ' HD2' ' A' ' 65' ' ' LYS . 3.6 m-30 -107.32 111.17 23.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.631 HD11 HD12 ' A' ' 126' ' ' ILE . 58.7 mt -125.8 147.02 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.452 ' OE1' ' NH2' ' A' ' 64' ' ' ARG . 10.3 pt20 -171.49 -177.94 2.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.452 ' CE1' HG21 ' A' ' 111' ' ' VAL . 6.4 m-85 -70.49 148.12 48.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.2 t -96.92 124.36 40.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.814 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -56.04 -50.77 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -64.33 147.38 52.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -90.51 -48.44 7.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -102.31 164.96 11.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.461 HD12 ' HB3' ' A' ' 87' ' ' ASN . 21.1 mt -108.93 59.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 47.84 44.43 18.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 9.3 t -144.96 134.56 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.4 m -72.16 -60.31 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 118.11 -95.42 0.64 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.7 143.82 21.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.1 t -83.1 143.98 30.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.6 m -112.18 -45.88 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.541 -179.949 . . . . . . . . 0 0 . 1 stop_ save_